196438425 PHƯƠNG PHAP PHỔ HỒNG NGOẠI VA ỨNG DỤNG TRONG THỰC PHẨM

B CNG THNG
TRNG I HC CNG NGHIP TP. H CH MINH

---------
VIN CNG NGH SINH HC THC PHM
MN: PHN TCH THC PHM

Ti: PHNG PHP PH HNG NGOI V NG DNG
TRONG THC PHM
GVHD : Nguyn Khc Kim

Lp Hc Phn: 210502002
ThnhphHChMinh,thng7nm2011.
www.facebook.com/daykem.quynhon
Ph Hng Ngoi v ng Dng Trong Thc Phm
B CNG THNG
TRNG I HC CNG NGHIP TP. H CH MINH
---------
VIN CNG NGH SINH HC THC PHM
MN: PHN TCH THC PHM

Ti: PHNG PHP PH HNG NGOI V NG DNG
TRONG THC PHM
SVTH:
1.
2.
3.
4.
5.
6.
7.
Trn Anh Duy

Tng Quc Huy
T Tn Qu
Tn Tht Thng
L Th Tin
Trn Minh Hong V
T Th Xun
09094891
09069521
09081961
09076751
09081621
09082321
09074941
GVHD : Nguyn Khc Kim

Lp Hc Phn: 210502002
ThnhphHChMinh,thng7nm2011.

Nhn xt ca gio vin hng dn
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MC LC
A. Li m u..................................................................................................................................6
B. NI DUNG.................................................................................................................................7
a. NGUN GC CA BC X HNG NGOI:..........................................................................................7
b. I CNG V PH HNG NGOI:...................................................................................................7
2.1 iu kin hp th bc x hng ngoi:..........................................................................................8
2.2 S quay ca phn t v ph quay:..............................................................................................9
2.3 Ph dao ng quay ca phn t hai nguyn t:.......................................................................11
2.4 Ph dao ng quay ca phn t nhiu nguyn t:...................................................................15
2.5 Cc yu t nh hng n tn s c trng nhm:..................................................................19
2.5.1 nh hng do cu trc ca phn t :......................................................................................19
2.5.2 nh hng do tng tc gia cc phn t:.............................................................................21
2.6 Cng v hnh dng ca vn ph hng ngoi:.....................................................................22
2.7 Cc vn ph hng ngoi khng c bn:.......................................................................................22
c. HP THU HNG NGOI CA MT S HP CHT HU C V V C............................................23
3.1 Tn s hp thu ca hydrocarbon:...............................................................................................24
3.2 Tn s hp thu ca Alcohol v phenol:.......................................................................................28
3.3 Tn s hp thu ca ether, epoxide v peroxide:........................................................................30
3.4 Tn s hp thu ca hp cht carbonyl:.....................................................................................31
3.5 Tn s hp thu ca hp cht Nitrogen:.....................................................................................36
3.6 Tn s hp thu ca hp cht cha phosphor:...........................................................................37
3.7 Tn s hp thu ca hp cht cha lu hunh:..........................................................................38
3.8 Tn s hp thu ca hp cht cha ni i lin nhau:...............................................................38
3.9 Tn s hp thu ca hp cht cha halogenur:..........................................................................39
d. K THUT THC NGHIM V NG DNG PHNG PHP QUANG PH HNG NGOI:...............40
4.1 My quang ph IR: ....................................................................................................................40
4.2 Cch chun b mu:....................................................................................................................42
4.3 ng dng:..................................................................................................................................43
4.3.1 ng nht cc cht:..................................................................................................................43
4

4.3.2 Xc nh cu trc phn t:.......................................................................................................43
4.3.3 Nghin cu ng hc phn ng:..............................................................................................43
4.3.4 Nhn bit cc cht:...................................................................................................................44
4.3.5 Xc nh tinh khit:..............................................................................................................44
4.3.6 Suy on v tnh i xng ca phn t:..................................................................................44
4.3.7 Phn tch nh lng:...............................................................................................................44
e. NG DNG PH HNG NGOI TRONG THC PHM:.....................................................................46
PHN TCH THNH PHN CHNH......................................................................................................46
5.1 Nc: ......................................................................................................................................... 46
5.2 Protein :....................................................................................................................................... 47

5.3 Lipid: ............................................................................................................................................ 48
5.4 Glucid:.......................................................................................................................................... 48
5.5 Cht x :....................................................................................................................................... 48
5.6 mt s ng dng khc:................................................................................................................48
f. NHNG LOI MY QUANG PH TRN TH TRNG HIN NAY:......................................................50
6.1 My quang ph hng ngoi bin i Fourier:...........................................................................50
6.2 My quang ph hng ngoi gn (FT-NIR):.................................................................................51
C. KT LUN...............................................................................................................................52
D. TI LIU THAM KHO........................................................................................................52
A. Li m u
Ha hc phn tch l mt phn ca khoa hc ha hc, phn tch thc phm l mt
b mn thuc phn tch cc mu, c bit l cc mu thc phm cho php ta xc nh
nhanh chng cc mu phn tch cha hm lng rt nh vi chnh xc cao. phn
tch thc phm nh ngy nay ngi ta s dng rt nhiu phng php nh: phn tch
sc k, phng php in th, phng php quangTrong phng php quang l
phng php c s dng ph bin bi k thut ny c coi l sch v tt v khng
s dng ho cht, khng nh hng sc kho v an ton cho ngi phn tch. Mt trong
nhng phng php quang c s dng th ph hng ngoi l mt trong nhng
phng php quang ph hp thu phn t.
Ph hng ngoi c s dng rng ri trong nhng k thut phn tch rt hiu qu
v tri qua ba thp k qua. Mt trong nhng u im quan trng nht ca phng
php ph hng ngoi vt hn nhng phng php phn tch cu trc khc (nhiu x tia
X, cng hng t in t, phng php quang vv) l phng php ny cung cp
thng tin v cu trc phn t nhanh, khng i hi cc phng php tnh ton phc tp.
K thut ny da trn hiu ng n gin l: cc hp chp ho hc c kh nng hp th
chn lc bc x hng ngoi. Sau khi hp th cc bc x hng ngoi, cc phn t ca cc
hp cht ho hc dao ng vi nhu vn tc dao ng v xut hin di ph hp th gi
l ph hp th bc x hng ngoi.
c ng dng trong nhiu lnh vc nghin cu khc nhau nh trong Y hc, Ha
Hc, Thc phm,nghin cu cu trc cc hp cht v c, hu c, phc cht v trong
thc t sn xut. c bit trong lnh vc thc phm ph bin ngi ta s dng ph hng
ngoi phn tch d lng axit amin trong protein, nh gi cht lng ca cht bo,
protein thnh phn ca cc sn phm sa v ht. Phn bit gia bt c, bt tht, bt u
nnh c trong mu. Phn tch thnh phn ha hc cc sn phm thc phm nh phomat,
ng cc, bnh ko, tht b
Nhm c ci nhn tng qut v cc phng php phn tch cng nh cung cp cho
chng ta mt cng c hu hiu trong hc tp v nghin cu v mn phn tch thc phm
nn nhm chn ti: Phng php ph hng ngoi v ng dng trong thc
phm tm hiu v nguyn tc phn tch nh ph hng ngoi v nhng ng dng ca
n trong k thut phn tch hm lng cc cht.
c th hon thnh tt bi tiu lun ny, nhm em chn thnh cm n nh trng
to iu kin c s vt cht cho nhm lm vic, thy Nguyn Khc Kim ch dn
v cung cp ti liu cng nh phng php lm bi cho nhm.
Tuy c gng nhng khng th trnh khi nhng sai st v ni dung cng nh
hnh thc. Rt mong nhn c kin ng gp chn thnh t c v cc bn!
B. NI DUNG
a. NGUN GC CA BC X HNG NGOI:
Nm 1800, William Hershel pht hin ra s tn ti ca bc x nhit ngoi
vng ph ca nh sng nhn thy v ng t tn cho n l bc x hng ngoi (Infrared IR). y l di bc x khng nhn thy c c bc sng t 0,75 n 1000 nm v ng
cng chng minh c rng bc x ny tun theo nhng qui lut ca nh sng nhn
thy. K t mc lch s n nay, trong lnh vc ny nhn loi t c nhng
bc pht trin ng k.
V ngun pht x: Vo na u th k 19 tm ra nhng nh lut u tin v
bc x nhit, u th k 20 hon thnh cc qui lut ca bc x khng kt hp. Trong
nhng nm 1920-1930 to ra cc ngun IR nhn to, pht hin ra hiu ng in pht
quang lm c s to ra cc ngun pht x IR (cc diodes pht quang).
V detectors (dng pht hin IR): Nm 1830 cc detectors u tin theo nguyn
l cp nhit in (thermopile) ra i. Nm 1880 ra i quang tr cho php tng ng k
nhy pht hin IR. T nm 1870 n 1920, cc detectors lng t u tin theo
nguyn l tng tc bc x vi vt liu ra i (vi cc detectors ny bc x c
chuyn i trc tip sang tn hiu in ch khng phi thng qua hiu ng nhit do bc
x sinh ra). T nm 1930-1944 pht trin cc detectors sulfure ch (PbS) phc v ch
yu cho cc nhu cu qun s. T nm 1930-1950 khai thc vng IR t 3 n 5 mm bng
cc detectors Antimonium dIndium (InSb) v t 1960 bt u khai thc vng IR t 8
n 14 mm bng cc detectors Tellure de Cadmium Mercure (HgTeCd).
Trn th gii IR c p dng trong nhiu lnh vc: Nh ng dng trong ch
to cc thit b quang in t trong o lng - kim tra trong lnh vc thc phm, cc
thit b chn on v iu tr trong y t, trong cc h thng truyn thng, cc h ch th
mc tiu trong thin vn, trong iu khin cc thit b v tr v trong nhng nm gn
y, chng cn c s dng thm d ti nguyn thin nhin ca tri t v cc hnh
tinh khc, bo v mi trng. c bit, n c nhng ng dng rt quan trng trong
lnh vc qun s. Cc ng dng qun s ca IR i hi cc detectors phi c nhy
cao, p ng nhanh, phi m rng di ph lm vic ca detectors v di truyn qua ca
vt liu quang hc. Cui chin tranh th gii ln th hai nh ng dng IR ngi ta
ch to c bom quang - in t iu khin, cc h thng iu khin ha lc trn c s
bin i quang - in, cc thit b nhn m cho v kh b binh, cc b in m IR v
sau th chin ln th hai to ra nhiu h thng iu khin tn la khng i khng,
khng i t, t i khng...
nc ta hin nay, lnh vc ny c mt s c quan khoa hc trong c
Vin nghin cu ng dng cng ngh, tip cn, nghin cu t cui nhng nm 60 ca
th k 20. V c bit, hin nay ph hng ngoi ang c ng dng rt rng ri trong
lnh vc thc phm
b. I CNG V PH HNG NGOI:

Phng php phn tch theo ph hng ngoi l mt trong nhng k thut phn tch
rt hiu qu. Mt trong nhng u im quan trng nht ca phng php ph hng
ngoi vt hn nhng phng php phn tch cu trc khc (nhiu x tia X, cng hng
t in t vv) l phng php ny cung cp thng tin v cu trc phn t nhanh,
khng
i
hi
cc
phng
php
tnh
ton
phc
tp.
7

K thut ny da trn hiu ng n gin l: cc hp cht ho hc c kh nng hp
th chn lc bc x hng ngoi. Sau khi hp th cc bc x hng ngoi, cc phn t ca
cc hp cht ho hc dao ng vi nhiu vn tc dao ng v xut hin di ph hp th
gi l ph hp th bc x hng ngoi.
Cc m ph khc nhau c mt trong ph hng ngoi tng ng vi cc nhm
chc c trng v cc lin kt c trong phn t hp cht ho hc. Bi vy ph hng
ngoi ca mt hp cht ho hc coi nh "du vn tay", c th cn c vo nhn
dng chng.
Ph hp thu hng ngoi l ph dao ng quay v khi hp thu bc x hng ngoi th
c chuyn ng dao ng v chuyn ng quay u b kch thch. Bc x hng ngoi c
di sng t 0,8 n 1000m v chia thnh ba vng:
1- Cn hng ngoi ( near infrared)
= 0,8 2,5m
2- Trung hng ngoi ( medium infrared) = 2,5 50m

3- Vin hng ngoi ( far infrared)
= 50 - 100m
Trong thc t, ph hng ngoi thng c ghi vi trc tung biu din T%, trc
honh biu din s sng vi tr s gim dn ( 4000 400 cm-1).
2.1 iu kin hp th bc x hng ngoi:
Khng phi bt k phn t no cng c kh nng hp th bc x hng ngoi.
Mt khc bn thn s hp th cng c tnh cht chn lc. mt phn t c th hp
th bc x hng ngoi, phn t phi p ng cc yu cu sau:
* di sng chnh xc ca bc x:
Mt phn t hp th bc x hng ngoi ch khi no tn s dao ng t nhin ca
mt phn phn t (tc l cc nguyn t hay cc nhm nguyn t to thnh phn t )
dao ng cng tn s ca bc x ti.
V d: Tn s dao ng t nhin ca phn t HCl l 8,7.1013s-1
1
8,7x1013
2890cm
10
3.10
ng vi:
Thc nghim cho thy rng khi cho cc bc x hng ngoi chiu qua mu HCl v
phn tch bc x truyn qua bng mt quang ph k hng ngoi, ngi ta nhn thy
rng phn bc x c tn s 8,7.1013s-1 b hp th, trong khi cc tn s khc c
truyn qua. Vy tn s 8,7.1013s-1 l tn s c trng cho phn t HCl. Sau khi hp th
bc sng chnh xc ca bc x hng ngoi (nng lng bc x hng ngoi b tiu
tn) phn t dao ng c bin tng ln. iu kin ny ch p dng cht ch cho phn
t thc hin chuyn ng dao ng iu ho.
* Lng cc in:
Mt phn t ch hp th bc x hng ngoi khi no s hp th gy nn s bin

thin momen lng cc ca chng. Mt phn t c gi l c lng cc in khi cc
nguyn t thnh phn ca n c in tch (+) v in tch (-) r rt.
Khi phn t lng cc c gi trong mt in trng (nh khi phn t c gi
trong mt dng IR), in trng s tc dng cc lc ln cc in tch trong phn t.
Cc in tch ngc nhau s chu cc lc theo chiu ngc nhau, iu dn n s
tch bit hai cc tng hoc gim.V in trng ca bc x hng ngoi lm thay i
phn cc ca chng mt cch tun hon, khong cch gia cc nguyn t tch in ca
phn t cng thay i mt cch tun hon.
Khi cc nguyn t tch in ny dao ng, chng hp th bc x hng ngoi.
Nu vn tc dao ng ca cc nguyn t tch in trong phn t ln, s hp th bc x
mnh v s c m ph hp th mnh, ngc li nu vn tc dao ng ca cc nguyn
t tch in trong phn t nh, m ph hp th hng ngoi yu.Theo iu kin ny th
cc phn t c 2 nguyn t ging nhau s khng xut hin ph dao ng. V d O 2, N2
v.v khng xut hin ph hp th hng ngoi. cng l mt iu may mn, nu
khng ngi ta phi ui ht khng kh ra khi my quang ph k hng ngoi. Tuy
nhin trong khng kh c CO2 v hi nc (H2O) c kh nng hp th tia hng ngoi
nhng iu ny c th b tr c bng thit b thch hp.
2.2 S quay ca phn t v ph quay:
Xt phn t AB c to thnh t hai nguyn t A v B c khi lng m 1 v m2,
xem khi lng m1 v m2 t ti tm ca hai ht nhn vi khong cch ca hai nhn l
r0. Hai nguyn t c xem l ni cng vo nhau v c gi l mt quay t cng.
Di dng quay t cng, phn t c kh nng quay xung quang nhng trc i qua trng
tm ca h, cch cc tm ht nhn cc khong r1 v r2 .
Hnh 1: M hnh quay t cng phn t hai nguyn t

Momen qun tnh I ca quay t c xc nh:
I
m1r12
m2 r22
m1m2 2
ro
m1 m2
r2o (1)
c gi l khi lng rt gn ca phn t:

m1m2
1
hoc
m1 m2
1
m1
1
m2
(2)

S quay ca quay t cng c xem tng ng vi s quay ca khi lng rt
gn t cch trc quay mt khong r0. Theo c hc lng t, nng lng chuyn ng
quay ca phn t hai nguyn t c xc nh bng biu thc:
Eq
h2
8
J (J
1)
(3)
J l s lng t quay, c gi tr bng khng hoc nguyn dng ( J= 0,1,2,3).

i lng (h/82I) c gi l hng s quay v c k hiu l B. Biu thc (3) tr
thnh:
Eq hBJ ( J 1)
(4)
H thc (4) cho thy nng lng quay t l nghch vi momen qun tnh I v cc
mc nng lng quay ng vi J cng ln th cng cch xa nhau:
J
J(J+1)
Eq
hBJ ( J
1)
0
1
0
1
2
2hB
2
6
6hB
3
12
12hB
4
20
20hB
5
30
30hB
Mt s mc nng lng quay thp ca phn t hai nguyn t v cc chuyn dch

cho php c trnh by trong hnh 2a sau:
Hnh 2: a. Mt s mc quay thp ca phn t hai nguyn t v cc chuyn dch c

php gia chng
b. S ph quay vi chuyn mc 0 1
Ph quay ca phn t c pht sinh do s chuyn dch gia cc mc nng lng
quay. i vi quang ph quay thun tu ca phn t hai nguyn t, s chuyn dch tun
theo qui tc chn lc:
J
1 (+1: hp thu, -1: pht x)
Theo m hnh cng, ph quay ca phn t hai nguyn t l mt dy vch u nhau

vi tn s:
2B (0 1); 4B( 1 2) ; 6B( 2 3)
Ngi ta thu c ph quay ca phn t khi dng bc x hng ngoi xa hoc vi
sng tc ng ln mu kho st. Cc ph quay c th gip nhn dng cc cht v cho
10
10

php xc nh khong cch gia cc ht nhn nguyn t v gc gia cc lin kt i vi
cc phn t n gin, momen lng cc in ca nhiu phn t
Ph vi sng cho chnh xc cao hn nhiu so vi ph hng ngoi xa, nhng vic
nghin cu trong vng ph vi sng gp phi hai hn ch:
Th nht, mu phi c chuyn thnh trng thi kh vi p sut khng di
10 mmHg
-3
Th hai, hp thu bc x vi sng, phn t phi c momen lng cc trng thi

c bn, bi v s quay t n khng to ra c momen lng cc. nghin cu nhng
phn t khng c momen lng cc nh O2, N2 ngi ta dng ph quay khuych tn
t hp.
Cc ph quay thc nghim cho thy cc khong cch (2B, 4B) gia cc vch
khng hon ton bng nhau, do phn t khi quay th khong cch gia hai nguyn t
cng dao ng cch xa nhau ch khng c nh nh gi thit tnh ton.
2.3 Ph dao ng quay ca phn t hai nguyn t:
S xut hin ca quang ph dao ng:
Dao ng ca phn t gm hai nguyn t l dao ng gin v nn dc theo trc
lin kt ca hai nguyn t, c gi l dao ng gin (stretching) hay dao ng ho tr.
Kt qu ca dao ng ny l lm thay i di lin kt ca cc nguyn t trong phn
t.
Trc ht chng ta cng xt trng hp phn t AB c to thnh t hai nguyn
t A v B. A v B c xem nh hai qu cu khi lng m A, mB ni vi nhau bi mt
l xo. Khong cch gia tm A v tm B v tr cn bng l r 0. Nu gi cht mt qu
cu cn qu kia p li ri b tay ra th qu cu th hai s dao ng quanh v tr cn bng
ban u vi mt lch r. Trong h s xut hin mt lc lun lun c khuynh hng
ko chng v v tr cn bng gi l lc hi phc, k hiu l F.
Bi ton dao ng nh trn c th a v trng hp bi ton tnh dao ng ca

mt im ng v mt im tnh (c gi l mt h dao ng t) v c th xy ra vi
11
11

bin dao ng khng i (dao ng iu ho) hoc bin dao ng thay i (dao
ng khng iu ho)
Dao ng iu ho:
Trong trng hp ny, lc hi phc F t l vi bin r:
F = - kr (5)
k - h s t l, c gi l hng s lc hay hng s lc ho tr ; du tr cho bit lc
F hng ngc vi chiu chuyn ng.
Thc hin qu trnh tnh ton theo c hc, ngi ta chng minh c rng dao
ng iu ho trn c tn s dao ng vd c xc nh nh sau:
1
2
vd
(6)
Vi l khi lng thu gn ca hai qu cu ni trn

Biu thc trn cho thy dao ng s c tn s cng cao nu hng s lc lin kt k
cng ln v khi lng thu gn cng nh. Khi ng nht dao ng t nhin ca phn
t gm hai nguyn t theo m hnh hai qu cu ni trn, biu thc (6) tr thnh:
1
vm
Trong :
vm - tn s do dao ng t nhin ca phn t.
k - lc lin kt gia hai nguyn t.
- khi lng thu gn ca phn t.
Mt khc khi cc dao ng t thc hin dao ng, di tc dng ca lc hi phc
F th n s c th nng Er:
Er
dr
k r
k (r
ro ) (7)
EO
(8)
suy ra:
ER
1
k (r
2
ro ) 2
Vi:
Er - th nng ca h ng vi mt s chuyn dch no khi v tr cn bng.
E0 - th nng ca h ng vi v tr cn bng ( tc r = r 0), cng l th nng cc
tiu ca h.
12
12

Biu thc (8) cn gip ta hnh dung th biu din s ph thuc th nng ca
phn t hai nguyn t trong dao ng iu ho vo khong cch r gia hai nguyn t.
l mt parabol c trc i xng l ng thng ng i qua im cc tiu ca th
nng. mi trng thi dao ng, khong cch r gia hai nguyn t thay i xung quanh
gi tr ro t mt gi tr cc i rmax n mt gi tr cc tiu rmin. hai gi tr gii hn
th nng Er ca h bng nng lng ton phn do dao ng Ed. Theo c hc lng t,
nng lng ton phn Ed ch c th nhn mt dy cc gi tr gin on:
Hnh3: a) ng cong th nng v cc mc nng lng dao ng ca phn t hai

nguyn t dao ng iu ho
b) Ph dao ng trong trng hp dao ng iu ho
Ed
Er
(n
1
)hvm (9)
2
n: s lng t dao ng ( n = 0,1,2,3)

trng thi dao ng thp nht ( n = 0), dao ng ca phn t vn c nng lng:
E0 = Er0 = 1/2h vm ( nng lng mc khng)
Biu thc (9) cn cho thy hiu gia hai mc nng lng k nhau lun lun bng
hvm, ngha l nhng mc nng lng dao ng c biu din bi nhng ng thng
nm ngang cch u nhau.
Khi dao ng l dao ng iu ho, s chuyn mc nng lng s tun theo qui
tc chn lc vi n = 1:
EIR
hvIR
Ed ( n )
v IR
Ed ( n
1)
hvm
vm
13
13

Nh vy trong trng hp l tng, phn t c dao ng iu ho v khng k n
chuyn ng quay th ph hp thu hng ngoi ch gm mt vch duy nht (Hnh 3b) ng
vi bin thin nng lng bng hiu nng lng gia hai mc cnh nhau v c tn s
bng tn s dao ng ring ca phn t.
Dao ng khng iu ho:
Trong thc t, dao ng ca phn t khng phi l dao ng iu ho v khi hai ht
nhn tin li gn nhau th lc tng tc gia chng ln hn khi chng cch xa nhau.
Do ng biu din th nng theo khong cch r khng phi l mt hnh parabol m
l mt ng cong khng i xng vi khong cch cc mc nng lng dao ng
khng u ho ( khi s lng t n cng tng, cc mc nng lng cng st gn vo nhau.
Dao ng khng iu ho cng khng tun theo qui tc chn lc n = 1 m mi s
chuyn mc nng lng khc nhau ( 2, 3) u c th xy ra. Tuy nhin, khi n
cng tng th xc sut chuyn s cng gim tc cng vn hp thu tng ng s
cng yu. Ph dao ng ca phn t hai nguyn t khng phi ch gm mt vch duy
nht m l mt tp hp nhiu dy vch, mi dy vch ng vi s chuyn dch ca phn
t t mt mc dao ng xc nh n nhng mc khc. Vch hp thu:
-
Tng ng vi s chuyn mc ( 0 1) gi l vch c bn.

Tng ng vi s chuyn mc ( 0 2) l vch ho tn th nht ( c s sng
s sng vch c bn).
Tng ng vi s chuyn mc (0
sng vch c bn).
3) l vch tn th hai ( c s sng
3 s
Hnh 4: ng cong th nng v cc mc nng lng dao ng ca phn t hai nguyn

t dao ng khng iu ho.
14
14

Quang ph dao ng quay ( ph hng ngoi):
Khi phn t hp thu bc x hng ngoi th ph thu c khng ch l ph dao
ng khng iu ho m cn l ph dao ng quay, do khi nng lng ca bc x
ln kch thch cc trng thi dao ng th n cng lm thay i c trng thi quay.
Kt qu l vch hp thu ph ng vi qu trnh dao ng khng phi l mt vch duy
nht m bao gm nhiu tp hp vch nh l m vch c tn s V = Vdd + Vq cn chnh
vch c tn s Vdd th li khng xut hin.
Cc my quang ph c phn gii km khng cho thy cc vch ring l ca m
m ch cho thy mt ng cong vin quanh cc vch .
2.4 Ph dao ng quay ca phn t nhiu nguyn t:
Chuyn ng dao ng ca phn t nhiu nguyn t l rt phc tp. n gin,
ngi ta thng phn mt chuyn ng phc tp thnh mt s hu hn cc dao ng
n gin hn gi l dao ng c bn hay dao ng chun hay dao ng ring. Cc dao
ng ring ca phn t c th c kch thch bi cc bc x in t mt cch chn lc,
i vi cc phn t c momen lng cc th ch nhng dao ng no lm thay i
momem lng cc ny mi b kch thch bc x hng ngoi ( nhng dao ng khng
lm thay i momen lng cc s b kch thch bi tia Raman). Cc dao ng ring no
c mc nng lng gi l dao ng suy bin. Mt cch tng qut, s dao ng c bn
trong phn t gm N nguyn t trong trng hp chung l 3N-6, trong trng hp phn
t thng hng l 3N-5. Trong trng hp phn t i xng nh CO 2, CH4, CCl4 do
mt s dao ng suy bin c tn s nh nhau nn tng s cc dao ng ring thc t s
nh hn tng s cc dao ng c bn tnh theo cng thc l thuyt.
Dao ng c bn:
phn t c t ba nguyn t tr ln, ngoi dao ng ho tr l loi dao ng lm
thay i di lin kt ca cc nguyn t trong phn t nh phn t hai nguyn t,
cn c loi dao ng c th lm thay i gc gia cc lin kt c gi l dao ng bin
dng ( deformation). Thay i gc lin kt d hn thay i di lin kt l v th nng
ca dao ng bin dng thng nh hn so vi dao ng ho tr. Ngi ta cn phn bit
dao ng ho tr i xng Vx ( khi hai lin kt cng di ra hoc cng ngn li) vi dao
ng ho tr bt i xng Vbx ( khi mt lin kt di ra trong khi lin kt kia ngn li).
Vi dao ng bin dng, ngi ta cn phn bit bin dng trong mt phng tmp ( s thay
i gc lin kt xy ra trong cng mt phng) vi bin dng ngoi mt phng nmp ( s
thay
i
gc
lin
kt
xy
ra
khng
cng
mt
phng).
15
15
Hnh 5: Cc kiu dao ng trong phn t nc

a) dao ng ho tr i xng
b) dao ng ho tr bt i xng
c) dao ng trong mt phng
minh ho, ta xt phn t gm ba nguyn t khng thng hng, v d H2O s dao
ng c bn trong phn t H2Ol 3 x 3 - 6 = 3 bao gm dao ng ho tr i xng V OH
(x) dao ng ho tr bt i xng V OH(bx) , bin dng trong mt phng OH(tmp) (Hnh 1).
Ph hng ngoi ca hi nc c hai vn gn nhau (3756 v 3652 cm -1 ) ng vi dao
ng ha tr bt i xng ca hai nhm OH ; mt vn hp thu 1596 cm -1 ng vi dao
ng bin dng ca gc HOH.
Trng hp phn t gm ba nguyn t thng hng in hnh l CO2. . S dao ng
c bn l 3 x 3 5 =4, v mt l thuyt gm dao ng ha tr i xng , bt i xng
ca lin kt C O , dao ng bin dng trong v ngoi mt phng ca gc O C O .
Trong thc t, ph hng ngoi ch c hai vn hp thu , mt 2349 cm -1 do dao ng
ha tr bt i xng v mt vn 667 cm-1 ng vi dao ng bin dng COC. iu ny
c gii thch l do CO2 thng hng nn dao ng ha tr i xng khng lm thay i
mmen lng cc ca phn t nn khng th hin trn ph hng ngoi, cn hai dao
ng bin dng trong v ngoi mt phng ca gc C O C l hai dao ng suy bin
nn chng ch th hin cng mt tn s, tc ch ng vi mt vn hp thu.
Dao ng nhm tn s c trng nhm:
Vic gii thch ngun gc ca cc vn hp thu trn ph hng ngoi ca cc phn t
nhiu nguyn t khng n gin nh cc v d minh ha trn v trong cc phn t
phc tp, s kiu dao ng tng ln rt nhiu. Cc dao ng trong phn t cn c kh
nng tng tc vi nhau lm bin i ln nhau nn tn s khng cn tng ng vi
nhng tn s c bn na. Nhiu dao ng gn ging nhau c th cng th hin mt
vng tn s hp di dng mt vn ph chung . bt phc tp ngi ta s dng khi
nim dao ng nhm bng cch xem mt vi dao ng ca cc lin kt ring r hoc
cc nhm chc l c lp i vi cc dao ng khc trong ton phn t v gi l dao
ng nh v. V d nh nhm metylen > CH2 gm cc kiu dao ng i xng VCH(x),
dao ng bt i xng VCH(bx) , dao ng ko, dao ng xun , dao ng qut Cc
nhm NH2 , CCl2 cng c cc kiu dao ng tng t. Theo quan nim dao ng
nhm, nhng nhm nguyn t dao ng ging nhau trong cc phn t c cu to khc
nhau s c dao ng th hin nh v th hin nhng tn s hay sng ging nhau goi l
16
16

tn s c trng nhm hay s sng c trng nhm, c sng dao ng ha tr l thuyt
c xc nh t h thc sau y:
V
1
2 c
k
u
(10)
c vn tc ca bc x chn khng.
Biu thc (10) cho thy khi khi lng thu gn khc nhau khng nhiu, s sng
ha tr tng theo hng s lc ha tr :
Vc
Vc
Vc
c;
Vc
Vc
c...
Ngc li, khi hng s lc ha tr khc nhau khng nhiu th phn t c khi
lng thu gn nh s hp thu s sng cao hn phn t c khi lng thu gn ln. y
chnh l nguyn nhn lm cho cc vn hp thu do dao ng ha tr ca O-H, N-H, CH xut hin khong s sng rt cao trn ph hng ngoi.
Cc vng ph hng ngoi:
Nh ni trn, ph hng ngoi thng c ghi vi trc tung biu din T%,
trc honh biu din s sng vi tr s gim dn (4000 400 cm -1 ) . Theo thi quen,
nhiu ngi vn gi s sng l tn s v thng k hiu V, n v cm -1 biu din
chng.
Hu ht cc nhm nguyn t trong hp cht hu c hp thu vng 4000-650 cm-1 .
Vng ph t 4000-1500 cm-1 c gi l vng nhm chc v cha hu ht cc vn hp
thu ca cc nhm chc nh OH, NH, C=O, C=N, C=CVng ph nhm chc tp trung
lm bn vng m mi vng, tn s c trng nhm c gi tr thay i ph thuc vo cu
to ca phn t: Vng 3650-2400 cm-1 cha cc vn dao ng ha tr ca X-H (X:O, N,
C, S, P); vng t 2400-1900 cm-1 gm cc vn do dao ng ha tr ca cc nhm
mang lin kt ba hoc hai lin kt i k nhau: vng 1900-1500cm-1 cha cc vn dao
ng ha tr ca cc nhm mang lin kt i v do dao ng bin dng ca nhm
NH2 .
Vng ph t 1500-700 cm-1 , mc d c cha cc vn hp thu c trng cho dao
ng ha tr ca cc lin kt n nh C-C, C-N, C-Ov cc vn do dao ng bin
dng ca cc lin kt C-H, C-Cnhng thng c dng nhn dng ton phn t
hn l xc nh cc nhm chc, v ngoi cc vn hp thu trn cn c nhiu vn hp
thu xut hin do tng tc mnh gia cc dao ng. Cc vn hp thu ny c trng cho
chuyn ng ca cc on phn t ch khng thuc ring nhm nguyn t no, v v
vy, vng ph ny thng c gi l vng ch vn tay. Vng ph t 650-250cm-1 cung
cp cc thng tin c gi tr i vi hp cht v c v phc cht, v cha cc vn ph lin
quan n dao ng ha tr ca C-Br, C-I v M-X (M- kim loi; X: O, N, S, C), nhng
khng phi my hng ngoi no cng o c vng ny.
Cc nhm chc, nhm nguyn t v lin kt trong phn t c cc m ph hp th
hng ngoi c trng khc nhau:
* Trong vng hng ngoi gn (NIR):
17
17

T 12500 cm-1 tri di n khong 4000 cm-1 c rt nhiu m ph c lin quan n
nguyn t H. Trong s , dao ng co gin (bi) ca O - H gn 7140 cm -1 v N-H gn
6667 cm-1, m ph t hp do cc dao ng co gin v dao ng bin dng ca C-H ca
nhm ankyl 1548 cm-1 v 3856 cm-1.
hp th ca m ph NIR thp hn t 10 n 1000 ln so vi cc m ph
vng hng ngoi gia.
Vng NIR c th ghi c vi h quang hc thch anh, kt ni vi cc detect
nhy vi NIR v ngun bc x mnh hn.
* Vng hng ngoi gia:
tm c rt nhiu tng quan b ch trong vng hng ngoi gia.Vng ny
c chia thnh min "tn s nhm" 4000 1300 cm-1 v vng"du vn tay" 1300 - 650
cm-1.
Trong khong 4000 2500 cm-1 s hp th c trng cho dao ng co gin ca H vi
cc nguyn t khi lng < 19.
Phn ch yu trong ph gia 1300 v 650 cm -1, l cc tn s co gin ca lin kt
n v tn s cc dao ng un (cc tn s b khung) ca h nhiu nguyn t. l
vng "nhn dng" "(vng "du vn tay"). Vng ph ny ht sc a dng , kh cho vic
nhn bit ring r cc m ph mt cch chc chn, nhng kt hp cc m ph hp
th, gip cho vic nhn bit cc cht.
* Vng hng ngoi xa:
Vng 667 - 10cm-1 bao gm cc dao ng bin dng ca C, N, O, F vi cc
nguyn t khi lng > 19 v cc dao ng bin dng trong h thng mch vng hoc
cha no. Vng dao ng tn s thp trong ph hng ngoi rt nhy i vi s thay i
cu trc phn t, bi vy m ph vng hng ngoi xa thng cho php d on cc
dng ng phn. Ngoi ra, vng ny c bit tt cho vic nghin cu cc c kim v cc
hp cht v c c cc nguyn t nng v lin kt yu.
Trn y ta thy c s lin quan gia cu trc phn t v s xut hin cc m
ph dao ng (ph hp th hng ngoi).
Tn s dao ng ca nhm nguyn t no trong phn t t ph thuc cc phn
cn li ca phn t c gi l tn s c trng cho nhm .
Khi ni tn s c trng ca nhm khng thay i th khng c ngha l lamda
max hp th l khng i m ch c ngha l lamda max nm trong mt min ph kh
hp. V d lin kt C-H c tn s c trng trong khong 2800 2900 cm-1
Ta xt mt vi trng hp n gin di y thy r hn tn s c trng ca
cc nhm nguyn t.
* Trong cc hidrocacbon no, cc lin kt C-C v C-H l ch yu. Tn s dao ng
ca mch C-C ri vo min 800 1200 cm-1 . Nu thay nhm -CH3 cui mch bng
mt nguyn t khc (hay nhm nguyn t khc).
V d: l X th lin kt C-X s cho tn s c trng nu tn s ca C-X khng ri
vo min tn s ca C-C.
vo
V d: l X th lin kt C-X s cho tn s c trng nu tn s ca C-X khng ri

min
tn
s
ca
C-C.
18
18

V d: trong CH3-X m X l Cl, Br, I , SH, H, OH, NH -2, F vv.. ta thy. X Tn s
lin kt (cm-1)
ClBrISHH+
OHNH-2
F-
712
594
522
704
2914
1032
1037
1049
Lin kt C vi X l Cl, Br, I, SH cho tn s c trng, cn C-O, C - N, C - F

khng cho tn s c trng v rivo min tn s C - C.
Cng nh vy, thc nghim cho thy trong dy CnH2n+1 X, tn s ca lin kt C-X
hu nh khng thay i khi n>3.
V d: tn s lin kt C-Cl ca mt s hp cht di y:
C3H7 Cl
C4H9 Cl
C5H11Cl
C6H13Cl
C7H15Cl
726 cm-1
722 cm-1
722 cm-1
724 cm-1
725 cm-1
Cho nn nu thy xut hin cc tn s tng ng, ta c th kt lun mt cch

chnh xc l trong phn t c lin kt C-X. Tri li vic pht hin cc lin kt C-N, C-O,
C-F theo tn s dao ng khi c lin kt C-C l khng chnh xc.
* Khi nghin cu lin kt C = O ta cng thy l khi khng b nh hng ca cc
nhm kc, lin kt ny c tn s khong 1710 cm-1, v d trong cc xeton di y, tn
s nhm C = 0 ch sai khc nhau rt t.
H3C - CO - CH3
H3C - CO - C2H5
H3C - CO - C4H9
1708 cm-1
1712 cm-1
1709 cm-1
2.5 Cc yu t nh hng n tn s c trng nhm:

2.5.1 nh hng do cu trc ca phn t :
Nh bit, tn s c trng nhm ph thuc vo s bn vng ca lin kt (thng
qua gi tr ca k) v khi lng ca cc nguyn t tham gia lin kt (biu thc 11.10).
Ngoi ra , n cn ty thuc vo phn cn li ca phn t thng qua cc hiu ng
electron, hiu ng khng gian v lin kt ni phn t.
Hng s lc ha tr: Hng s lc ha tr k ph thuc vo bn cht mi lin kt ha
hc gia hai nguyn t - lin kt cng bn th hng s lc ha tr k s cng ln. Khi
hng s lc ca hai nhm khc nhau 25% th s sng c trng ca chng khc nhau rt
19
19

r. T l hng s lc ca C-C : C=C l 1:2:3 nn cc vn hp thu ca chng s c s
sng c trng khc nhau v kh xa nhau.
S thay th ng v : Khi thay mt nguyn t bng mt nguyn t ng v khc,
hng s lc khng thay i. Tn s c trng nhm s thay i ph thuc vo khi
lng ca ng v. V d khi thay H trong nhm C-H bng D th khi lng thu gn ca
nhm s tng gn hai ln.
Hiu ng electron: nh hng do hiu ng electron trn cc hp cht phi c
xem xt c th i vi tng hp cht . Thng thng, s lin hp lm gim bc ca lin
kt bi v tng bc ca lin kt n xen gia cc lin kt bi. Do , khi cc lin kt bi
ln hp vi nhau th tn s ca chng u gim so vi khi chng v tr khng lin hp.
Mt s v d minh ha c nu trong bng 1.
Bng 1: S sng hp thu hng ngoi do dao ng ha tr ca mt s hp cht c bc

lin kt khc nhau
Bc lin kt
S sng (cm-1 )
CC
2260 2150
>C = C <
1680 - 1620
>C =C C = C <
1.9
1650 - 1600
Arene
1.7
1600 - 1500
1100 - 700
Loi hp cht
CC
i vi ni i C=C, nhng nhm ht electron lm gim mt electron, do

lm yu lin kt i dn n vic lm gim s sng hp thu cn cc nhm y electron
th ngc li. i vi ni i C=O th s y electron li lm tng cng s phn cc
vn c dn n s gim bc lin kt v lm gim s sng hp thu.
Yu t khng gian: Cc ng phn cis - trans c th c nhn bit nh vn hp
thu do dao ng bin dng ngoi mt phng ca cc lin kt =CH: ng phn trans
RCH=CHR c mt vn mch 970-960 cm-1 cn ng phn cis RCH=CHR c mt vn
trung bnh 730-675 cm-1.
Tng t, khi o ph hng ngoi ca cc cht i quang trng thi rn c gip
phn bit c ng phn quang hot vi bin th racemic.
Sc cng ca vng cng gy nh hng n tn s c trng nhm. V d, vn hp
thu do dao ng ha tr (C-H) ca cc alkane v cycloalkane vng ln xut hin s
sng 2960-2850cm-1 trong khi vn hp thu ca cyclopropane li xut hin vo vng ca
dao
ng
ha
tr
(=C-H)
ca
alkene,
tc
khong
3050cm-1.
20
20

Vic thay i v tr tng i ca nhm nguyn t trong khng gian c th lm cc
nhm phn cc gn nhau hoc xa nhau dn n s thay i tng tc lng cc
lng cc cng c th c pht hin bng hng ngoi.
nh hng ca lin kt hydro ni phn t: Lin kt hydro l lin kt yu c
hnh thnh khi nguyn t hydro tham gia lin kt cng ha tr vi nguyn t ca mt
nguyn t c m in ln li tng tc vi mt nguyn t m in khc . Lin kt
hydro c th c xem l lin kt kiu ba trung tm trong H ng vai tr ca cu ni,
lm cho hai lin kt hai bn u b yu i dn n s sng dao ng ha tr ca hai
nhm tham gia lin kt u gim xung, vn hp thu ca nhm X-H (X: F, O, N)
thng tri rng ra so vi trng hp khng to lin kt hydro. Lin kt hydro gy kh
khn cho dao ng bin dng nn lm tng s sng ca dao ng bin dng.
2.5.2 nh hng do tng tc gia cc phn t:
trng thi kh, cc phn t chuyn ng t do v hu nh khng tng tc vi
nhau nn ph hng ngoi ca mt cht c o dng kh phn nh kh trung thc cu
trc ca phn t. Tuy nhin, vic phn tch ph hng ngoi ca mt cht o trng thi
kh i khi rt phc tp ca ph quay gy ra. Chnh v vy m ngi ta thng o mu
hng ngoi dng rn, dng lng hoc DD l cc dng thng gp iu kin thng.
cc dng cht rn c th tn ti di cc dng tinh th khc nhau th vic o ph
hng ngoi th rn va cung cp thng tin v cu trc phn t, va c th phn nh s
thay i tng tc gia cc phn t do thay i mng tinh th. V d khi o ph hng
ngoi ca cc polymer (c kch thc v khi lng ln nn lc tng tc gia cc phn
t l rt ng k) chng hn nh polyethylene terephtalate, ngi ta thy rng mt s
vn ph ca cht ny dng v nh hnh c cng mnh hn rt nhiu so vi dng
tinh th nn c th da vo y nh gi t l gia pha v nh hnh v pha tinh th.
Cc ph hng ngoi ca poliamid, polipeptid v protid khng cho thy vn ph ng vi
lin kt N-H t do m ch c vn hp thu ca nhm N-H, lin kt hidro6 3300 cm-1,
ngha l c s to thnh lin kt hydrogen trn ton mch phn t polime.
loi tr nh hng tng tc mnh khi o cc cht th rn, hoc th lng tinh
khit, ngi ta thng ha tan trong cc dung mi tr nh n-hexan, CCl 4, CS4 Khi
nghin cu ph hng ngoi ca cc cht o dng DD, cn phi lu n nng ca
cht tan v gi tr ny c nh hng rt ln n lin kt hidro gia cc phn t cht tan.
Pha long DD s lm cho cng mi hp thu X-H, t do tng ln v cng vn XH tham gia lin kt hidro gim xung. Cng cn phi lu ti dung mi c s dng
v dung mi nh hng khng nhiu n s sng giao ng ca nhm khng cc nhng
li nh hng rt n cc nhm phn cc. Kt qu nghin cu cho thy khi chuyn t
dung mi ny sang dung mi khc, s sng giao ng ca lin kt C-H trong alkane,
alkene, arene, C=C, CCthay i khng nhiu, trong khi s sng giao ng ca C-H,
O-alkyl, OH, NH, C=O li thay i rt ln.
S to lin kt hidro lin kt lin phn t khng nhng lm dch chuyn s sng
hp thu m cn m rng cc vn hp thu rt ng k.
21
21

2.6 Cng v hnh dng ca vn ph hng ngoi:
Khi phn tch ph hng ngoi, ngoi v tr (s sng) ca vn hp thu cn phi ch
n cng v hnh dng ca vn ph. S hp thu ca cc nhm nguyn t c th
hin bi cc vn ph vi cc nh ph cc s sng thch hp.
Vic nh lng bng phng php hng ngoi c chnh xc khng cao, do h
s hp thu mol t lp li cc ln o khc nhau. Vic nh lng km chnh xc cng
cn do rt kh xc nh chnh xc b dy khi mu dng rn (c trn vi cc mui
v c v p thnh vin c b dy vi m). Cng vn ph c th c nh gi qua
din tch vn ph gi l cng tch phn, nhng hin nay phng php ny cng rt
t c s dng v thc hin kh khn m chnh xc vn khng cao. Hin nay ngi
ta ch nh gi cng vn ph mt cch nh tnh: mnh, trung bnh hoc yu.
Nh trn ni, i vi cc phn t c mmen lng cc th ch nhng dao
ng no lm thay i mmen lng cc ny mi b kch thch bi bc x hng ngoi.
iu ny cng cn c hiu l khng phi phn t hay lin kt c mmen lng cc
ln th s c cng hp thu hng ngoi ln m ch khi cc phn t hoc lin kt c
bin thin mmen lng cc ln. i vi cc phn t hai nguyn t hon ton i xng
nh H2, O2, N2dao ng gia hai nguyn t trong phn t hon ton khng gy ra s
bin i mmen lng cc no nn cc phn t khng c mi hp thu trong vng
ph hng ngoi. Trong cc hp cht hu c, cc nhm thng cho vn hp thu c cng
mnh l C = O (VC=O khong 1700 cm-1, mnh hn nhiu so vi VC=O, VC=N c s
sng cng khong ny), C-X (X halogen); cc nhm c cng lun lun yu l
N=N, C=N v mt s nhm c vn hp thu c cng ty theo cu trc phn t. V d
cc vn VOH, VC-O c cng t mnh n trung bnh, vn CC=C ca alkene c cng
t trung bnh n yu. Cc alkene hon ton i xng nh ethylene th vn V C=C
khng xut hin trn ph hng ngoi, thm ch mt s alkene hoc alkyl c tnh i
xng cao (ni i hoc ni ba nm v tr gn chnh gia) th vn hp thu VC=C, VCC
khng cn xut hin trn ph hng ngoi.
Cc vn ph hng ngoi ni chung thng mnh v nhn , nhng cng c cc vn
ph tri ra trong mt khong tn s kh rng . V d, vn O-H lin kt hydro thng l
mt vn t ko di vi trm cm-1 i khi c ti vi nh cc i v khng th ch chn
mt cc i no c trng cho s hp thu cu nhm OH.
Cng c trng hp hai vn ph gn nhau nn c s xen ph ln nhau hoc vn
mnh trm ln vn yu ch li mt g nh gi l vai.
2.7 Cc vn ph hng ngoi khng c bn:
Trn ph hng ngoi, ngoi cc vn hp thu do dao ng ha tr hoc dao ng
bin dng gy ra cn xut hin cc vn hp thu khng lin quan trc tip n mt dao
ng c bn no c. l cc vn do s ha tn, do s kt hp, do tng tc ca cc
dao ng hoc do cng hng Fermi, c gi chung l cc vn khng c bn.
22
22

Vn ha tn: thng c cng yu, c s sng gn bng bi s ca vn c bn,
do s chuyn mc nng lng n= 2, 3 ngoi chuyn mc nng lng n= 1.
Trong thc t thng gp cc vn ha tn tng ng vi chuyn mc n= 2 nhiu hn
cc trng hp khc. V d vn VC=O (khong 1700 cm-1;) c mt vn ha tn bc mt
cng yu khong 3300 cm-1 ; vn VC-CI (khong 770 cm-1) c mt vn ha tn bc
mt khong 1540 cm-1.
Vn kt hp: thng l cc vn yu, c s sng bng tng hoc hiu ca s sng
ca hai dao ng c bn, do nng lng ca bc x c kh nng kch thch hai dao ng
c bn.
Vn cng hng Fermi: do s cng hng gia mt vn c bn vi mt vn ha
tn hoc mt vn kt hp, khi nng lng ca dao ng ha tn tnh c trng vi nng
lng ca mt dao ng c bn khc. Khi c s cng hng s c s san s nng lng
gia vn c bn v vn ha tn, hin tng ny lm xut hin thm mt vn v tr gn
vi vn c bn, b ngoi ging nh s tch i vn c bn. Hin tng ny dng gii
thch s tch mt vn ph thnh hai khi khng c nguyn nhn cu trc no gy ra.
Ngoi cc vn khng c bn ni trn, s tng tc gia cc dao ng trong phn t
cng c th dn n s thay i ng k s sng ca cc vn ph c bn. V d i vi
alkene, vn VC=C thng xut hin khong 1650 cm-1 nhng cc hp cht alkene c
ba nguyn t lin kt nhau bng hai ni i (>C=C=C<) th vn VC=C(x) xut hin 1050
cm-1 cn vn VC=C(bx) xut hin 1950 cm-1 do tng tc ca hai ni i k bn nhau.
Khi gii ph hng ngoi, ngi ta thng lu u tin cc vn ph c bn. Tuy
nhin, mt s vn khng c bn i khi rt c gi tr trong vic phn tch cu trc. V d
nh ph hng ngoi ca cc arene, vng t 2000-1650 cm-1 c th xut hin t hai n
su vn yu l cc vn ha tn v kt hp ng vi cc dao ng bin dng C=H (khong
800-900 cm-1) ca vng benzene. S lng v hnh dng cc vn ha tn v kt hp ni
trn rt c ch trong vic xc nh mc th trong vng benzene (c mt, hai hay ba
nhm th; cc nhm th v tr nh th no).
c. HP THU HNG NGOI CA MT S HP CHT HU

C V V C
Xt v mt l thuyt, ngi ta c th o ph hng ngoi ca cc hp cht hu c,
v c v c phc cht. Tuy nhin vic o ph hng ngoi ca cc hp cht v c v
phc cht kh phc tp (v d nh phi tin hnh o vng c s sng kh thp m
khng phi my no cng p ng c) nn trong thc t, phng php ny c s
dng phn tch cc hp cht hu c l ph bin hn.
Tn s hp thu c trng ca cc nhm chc c trnh by trong cc bng c n
v l cm-1 (tht ra l s sng, nhng c quen gi l tn s) vi cng c vit tt
l
m (mnh),
tb
(trung bnh),
y (yu)
v
b
(bin
i).
23
23

3.1 Tn s hp thu ca hydrocarbon:
Tn s hp thu hng ngoi ca hydrocarbon no, ca alkene, arene mt v nhiu
nhn thm, alkyne c tm tt trong cc bng 2, 3, 4 v 5.
Bng 2: Tn s hp thu ca hydrocarbon no (alkane v cyclane)
Nhm
Dao ng
Tn s (cm-1)
CH3
VC - H(bx)
2975 2950 (m)
D ha tr bt i xng
VC - H(x)
2885 2870 (m)
D ha tr i xng
CH3 (tmp)
1465 1440 (tb)
D bin dng trong mt phng
CH3 (nmp)
1390 1375 (tb)
D bin dng ngoi mt phng
>(CH3)2
CH3
1380 (tb)
C(CH3)3
CH3
1395 1385 (tb)
Ghi ch
1365 (m)
>CH2 thng
VC - H(bx)
2940 2920 (m)
D ha tr bt i xng
VC - H(x)
2870 2840 (m)
D ha tr i xng
CH2
1480 1440 (tb)
D bin dng li ko
CH2
745 720 (y):
745 735
735 725
725 - 720
CH2 vng
CH2
1452 cm-1
CH vng (ln
hn ba)
VC - H
2890 2880 (y)
CH vng ba
CH2 - halogen
VC - H
3050 (y)
CC
VC - C
1260 700 (y)
C - C
600 - 500
D bin dng con lc ca

mch carbon (CH2)n _:
n=2
n=3
n>3
D bin dng li ko ca
cyclohexane (c tn s thng b
hn alkane thng)
Trng vi vng Ch alkene

Rt yu
24
24
CO CH3
VC H
3100 2900 (y)
Thng rt yu
CHO
VC-H
2900 2700 (y)
Thng gm haivn (mt

2720cm-1)
O CH3 O
CH2 O
VC-H
2850 2810 (tb)
Aryl ether: s sng cao
2790 2770 (tb)
Ankyl ether: s song thp
N CH3
VC-H
2820 2780 (tb)
O CO CH3
CH3
1385 1365 (m)
Cng rt mnh
1360 1355 (m)
Nhm C H khng tham gia lin kt hydro nn v tr cc vn hp thu ca n t chu

nh hng ca trng thi mu o v bn cht ho hc ca mi trng o. Nu khng
thy s xut hin ca cc vn hp thu do dao ng ho tr ca CH no th chc chn trong
hp cht nghin cu khng c cc nhm CH, > CH2, CH3.
Lin kt C C hp thu vng ch vn tay, thng yu v c s sng thay i do
nh hng ca tng tc dao ng nn khng c gi tr thc t.
Bng 3: Tn s hp thu ca Alkene
Nhm
>C=CH2
CH=CH2
Dao ng
V=CH2
=CH2
Tn s (cm-1)
Ghi ch
3095 3075 (tb) i khi b che ph bi vn
VC-H no
895 885 (m)
V=CH2
3095 3075 (tb)
=CH2
995 - 980
V 915 - 905
>C=CH RCH=
V=CH
3040 3010 (tb)
=CH
850 790 (m)
CHR (trans)
CH(nmp)
970 960 (m)
RHC=CHR (cis)
CH
730 675 (tb)
R CH=CH2
CH
995 985 (m)
D bin dng ngoi mt

phng ( 990cm-1 nu lin
hp
vi
C=O
)
V 940 900
25
25

CH
R2C=CHR
(m)
840 790 (tb)
> C=C <
VC=C(klh)
VC=C(lh)
> C=CH2
1680 1620
(b)
D ho tr C=C khng lin

hp
1625 (tb)
Lin hp vi nhn thm (vi

h thng lin hp, thng
xut hin hai mi hp thu
1650 1600 cm-1)
<1665
D bin dng do mch

carbon
VC=C
CH=CH2
C=C
RHC=CHR(cis)
VC=C
C=C
630cm-1
<1665
630 va 455
RCH=CHR(trans)
D bin dng do mch

carbon vi hai mi hp thu
VC=C
C=C
>1665
455 - 370
>C=CH v C=C<
D bin dng do mch

carbon vi mt mi hp thu
VC=C
>1665
Dien v Trien
VC=C
1650(m) v
1600(m)
Vn 1600 thng mnh hn

v c th xen ln vi vn
1650
Bng 4: Tn s hp thu ca Arene mt nhn thm v nhiu nhn thm

Nhm
Dao ng
Tn s(cm-1)
Ghi ch
Aryl H
VCH thm
3080 3010 (y)
Thng b che ph, c th c n

5 mi (s mi gim khi s nhm
th tng).
26
26

CH(tmp) thm
1290 1000 (y)

(rt yu thng b qua).
CH(nmp ) thm
900 675 (b)
D bin dng ngoi mt

phng(rt c trng), tn s thay
i theo v tr v s nhm th:
C=C
(mt nhn
thm)
VC=C
Mch carbon
Nhiu
nhn thm
CH(nmp)thm
770 730 v 710 690

770 735
960 900, 880 830
V 710 680
860 800
Mt nhm th (2 mi)
Hai nhm th ortho (1mi)
Hai nhm th meta (3 mi)
800 760 v 720 685

900 885 v 780 760
865 810 v 760 - 730
Ba nhm th 1,2,3
Ba nhm th 1,2,4
Ba nhm th 1,3,5
1625 1430
1625 1590, 1590
1575
1575 v 1525 - 1470
900 675 (b)
Hai nhm th para (1 mi)
2 hay 3 mi
D bin dng ngoi mt phng,
tn s thay i theo s H, theo v
tr v s nhm th:
671
770 730 (m)
770 735 (m)
6 H lin tip (mt mi)

5H lin tip (mt th)(mt mi)
4H lin tip (hai th ortho)(mt
mi)
820 760 (m)
3H lin tip (hai th meta hay 1,

2, 3)
860 800 (m)
2H lin tip (hai th para hay

1,2,3,4)
900 830 (m)
1H c lp(hai th meta hay

1,2,3,5,- 1,2,4,5)
Nhm CH khng no v CH thm c th c phn bit vi CH no bi v vn hp

thu do dao ng ho tr ca chng thng xut hin s sng ln hn 3000 cm-1 (trong
27
27

khi vn hp thu do dao ng ho tr ca CH no xut hin s sng b hn 3000 cm -1).
Tuy nhin, do cng ca cc vn ny kh yu nn chng thng b che ph bi cc
vn CH no hoc cc vn NH, OH,... Nhn chung, ph hng ngoi ca cc hp cht thm
th hin nm vng: vng 3080 3010 cm-1(dao ng ho tr ca lin kt CH), vng c
tn s t 2000 1600 cm-1 xut hin cc vn ha tn v vn kp hp ca hp cht thm,
vng 1600 1500 cm-1 c th c hai hay ba vn do dao ng ho tr ca cc lin kt CC trong nhn gy nn (dao ng khung), c trng cho cc nhn thm loi su cnh nh
nhn benzen, nhn pyridine, vng 1225 950 cm-1 hu nh khng cung cp thng tin c
gi tr cho vic gii on ph, vng di 900 cm-1c cc vn dao ng bin dng ngoi
mt phng ca cc lin kt CH thm c th cung cp cc thng tin v s lng v v tr
ca cc nhm th, nhng phi ht sc thn trng v y khng phi l cc vn duy nht
trong vng ny.
Bng 5: Tn s hp thu ca Alkyne

Nhm
Dao ng
Tn s (cm-1)
Ghi ch
CCH
V=CH
CH
VCC
VCC
3340 3300 (tb)

695 575
2140 2100 (y)
2260 2190 (y)
C th b che bi mi NH hay OH
Hai mi
Alkyne mt nhm th
Alkyne hai nhm th, mi ch do
cng hng Femi, cng cng
yu khi tnh i xng cng cao
(khng xut hin khi ni ba gia
mch hoc gn gia mch)
CC
CC
355 335
510 - 260
960 900
520 495
495 - 480
CCH
CCH
Acetylene
Alkyne th
-CCC
RCCme
RCCEt
D ho tr do mch carbon
D bin dng do mch carbon
D bin dng do mch carbon
3.2 Tn s hp thu ca Alcohol v phenol:

Cc vn hp thu c trng ca hai hp cht ny do dao ng ho tr ca lin kt
OH v C O . Cc vn hp thu ny chu nh hng rt mnh ca lin kt hydrogen
ni phn t v lin phn t. Tn s hp th thay i cng mnh khi dao ng ho tr C
O v dao ng bin dng OH c s kt hp vi nhng hydro lin tip (bng 6 v 7).
Bng 6: Tn s hp thu c trng ca alcohol
Nhm
Dao
S sng (cm-1)
28
28
Ghi ch

ng
OH t do (kh
hoc DD tht
long)
VOH
OH(tmp)
OH(nmp)
OH lin kt
hydro (DD m
c)
VOH
OH(tmp)
3650 3590 (b) * Mi hp thu thng nhn,cng

tng dn theo Alcohol
thm<tam<nh<nht:
3640 3630
- Alcohol nht, thng
3625 3620
- Alcohol nh, thng
3620 3610
- Alcohol tam, thng
3460 3450
- Dng R-O-H-O-C<
1410 1260 (m) * D bin dng trong mt phng
(nhn)
700 - 600
* D bin dng ngoi mt
phng(t)
3600 3200 (m) * Thng t: lin kt hydro cng
mnh, s sng cng gim
3300
- Alcohol thng
3580 3480
- C lin kt hydrogen gia nhm
OH v h thng pi ca nhn thm
* D bin dng trong mt phng
1500 - 1300
(t)
OH lin kt
hydro ni phn
t
VOH
3200 2500 (b) VOH ca phenol, acid cng vng

ny, bao trm c vng hp thu ca
vn VCH.
H2O kt tinh
VOH
H2O trong DD
H2O m
COH
VOH
VOH
VC-O
3600 3100 (y)

1640 1615 (y)
3710
3500 3450
1205 1030 (m):
1065 1030
Alcohol nht, thng
1125 1085
Alcohol nh, thng
1205 1125
Alcohol tam, thng
(D
ho
tr
CO
ca
ether,ester,acid
v
anhydric
carboxylic hp thu mnh trong vng
t 1300 1000 cm-1)
Bng 7: Tn s hp th c trng ca phenol

Nhm
Dao ng
S sng(cm-1)
OH
VOH
3620 3590
Ghi ch
DD long, dung mi khng
phn cc
29
29

3650 3600
C nhm th rt in t v tr
ortho ngn cn to lin kt
hydrogen
Mu lng, rn hay DD m c
v khng c nhm th rt in
t v tr ortho
Lin kt hydrogen ni phn t
Mu rn hay DD c s to lin
kt hydrogen mnh (t)
3400 3230
3200 2500
720 600
OH(nmp)
-C-OH
VC-O
1205 1030(m):
1255 1240, 1175
1150, 835 745
Alkyl phenol (3mi)
1320
1185
1300 - 1200
phenol th ortho (1 mi)

phenol th meta (1 mi)
phenol th para (1 mi)
Dao ng ho tr ca nhm NH i khi cng ln trong vng ca nhm OH lin

kt hydro, nhng vn NH thng nhn ( v to lin kt hydro yu) v c cng yu
hn vn OH.
3.3 Tn s hp thu ca ether, epoxide v peroxide:
Cc hp cht ether, epoxide c cha nhm chc COC, trong lin kt CO c
lc lin kt v khi lng thu gn tng ng vi lin kt CC nn c cc vn hp thu
xut hin tn s rt gn vi tn s ca lin kt CC v d gy nh hng ln nhau.
Tuy nhin, cng ca vn hp thu CO mnh hn nhiu so vi cng ca cc vn
hp thu CC. Cc hp cht peroxide v hydroperoxide gm hai dng lin kt chnh l
lin kt CO v lin kt OO.Cc gi tr tn s hp thu ca cc hp cht trn c tm
tt trong bng 8.
Bng 8: Tn s hp thu c trng ca ether, epoxide v peroxide
Nhm
Dao ng
S sng (cm-1)
Ghi ch
COC
(ether)
VC-O-C(x)
1270-1030(m):
1150 1060
1225 1200
1270 1030
1270 1230
1090
1470 - 1230
D ho tr i xng:
Ether thng, no
Ether thng, khng no
Ether vng
Ether thm
Ether benzylic
D ho tr bt i xng, chu nh
hng ca nhm gn trc tip vo
VC-O-C(bx)
30
30

nguyn t oxy
COC
(epoxide)
CO
(peroxide v
hydroperoxide)
OO
(peroxide v
hydroperoxide)
Vvng
1250
VC-O v
VC-C(bx)
950 810
VC-H
3060 2990
VC-O
1300 1000
VC-O
900 830
D ho tr bt i xng do s ghp
cp ca lin kt C-O v C-C
Dao ng ho tr C-H ca vng
Khng xut hin peroxide i

xng
3.4 Tn s hp thu ca hp cht carbonyl:

Vn hp thu ca nhm carbonyl l mt vn c trng rt c ch khi nghin cu cu
trc v c cng rt mnh v xut hin trong vng c tn s xc nh (mi hp thu do
dao ng ho tr ca C=O xut hin trong vng t 1870 1540 i vi andehyde,
cetone, acid v ester chu nh hng ca nhng mi hp thu khc khng ng k). Ni
chung, cc yu t lm tng lin kt i ca nhm carbonyl s lm tng lc lin kt v
do lm tng tn s hp thu v ngc li:
- Tng mt t khi c mt nhm rt in t gn vo nhm carbonyl.
- Gim mt t (khong 15 40cm-1) khi carbon ca nhm carbonyl khng no (tr
amide).
- Gim mt t (khong 40 60 cm-1) khi c mt lin kt hydrogen lin hay ni
phn t.
- Gim mt t khi nhm carbonyl gn vo vng nh(v d cyclobutanone hay
cyclopropanone) so vi vng ln.
Cng hp thu ca nhm carbonyl acide mnh hn so vi ester, ester mnh
hn so vi cetone v aldehyde. Cng cn lu rng vn hp thu do dao ng ho tr ca
lin kt C=O thng c mt mi ha tn cng yu tn s khong 3500 3300
cm-1.
Cetone: Tn s hp thu c trng ca mt s cetone c trnh by bng 9.
Bng 9 Tn s hp thu c trng ca cetone
Nhm
C=O
(cetone thng
Dao ng
VC=O
Tn s (cm-1)
1765 1735 (m)
1745 1715 (m)
Ghi ch
o mu trng thi hi
DD long
31
31

1725 1705 (m)
1700 1680 (m)
1700 1660 (m)
1750 1725 (m)
1765 1745 (m)
1660
1690 1655
no hoc vng
ln hn 5
carbon)
C=O(tmp)
1435 1355
1435 1405
1360 1355
630 629
540 - 510
Mu lng hay DD m c
Cetone thm(nhiu nhn lin hp)
Cetone - ethylenic
Cetone - halogen
Cetone dihalogen
Orthoquinone
Parequinon (mt hay hai mi hp
thu)
Chu nh hng ca nhm alkyl v
tr carbon :
Nhm methylen (-CH2-CO-)
Nhm methyl (-CO-CH3)
Dng CCOC
Dng CC=O
Rt mnh
C=C
1610 (m)
VC=C
(-dicetone)
Aldehyde: Lin kt C=O c tn s dao ng cng nguyn tc vi cetone, nhng
cao hn mt t. Ngoi lin kt C=O, aldehyde cn c lin kt C H (bng 10).
Bng 10: Tn s hp thu c trng ca aldehyde.
Dao ng
Tn s(cm-1)
Ghi ch
C=O
VC=O
CH
C=O (nmp)
VC-H
1740-1720 (m)
1715-1695 (m)
1705-1685 (m)
650-580 (m)
Aldehyde no
Aldehyde thm
Aldehyde -ethylenic
Aldehyde thm
Gm hai mi, tn s thay
i theo mch carbon v
nh hng ca nhn
thm:
Benzaldehyde (mt mi),
Aldehyde thm (hai mi)
Nhm
C=O (tmp)
2900-2860
2830-2810 v
2745-2720
1390
C th xut hin thm

mi 2870-2830 do hiu
ng Fermi
Anhydride acid: Ngoi hai mi hp thu c trng do dao ng ha tr i xng v

bt i xng ca hai lin kt C=O ghp trong h thng COOCO trong anhydride
acid, cn c dao ng ha tr ca nhm chc COC (bng 11).
32
32
Nhm
Bng 11: Tn s hp thu c trng ca anhydride acid

Dao
Tn s (cm-1)
Ghi ch
ng
COOCO
VC=O
1840-1800 v 1715-1695 (m)

1830-1780 v 1755-1710 (m)
1870-1820 v 1800-1750 (m)
Anhydride acid thng, no

(hai mi)
Anhydride thm hay khng
no (hao mi)
Vng nm cnh no.
COC
VC-O
Anhydride
ngn.
1185-980
1050-1040
thng,
mch
Anhydride thng, mch di.
1300-1210
Anhydride vng.
Carboxylic acid: Do c kh nng to lin kt hydrogen mnh, acid carboxylic
thng hin din dng nh hp (dimer) trong dung dch m c. Ph hng ngoi ca
acid carboxylic c hai mi hp thu c trng: mt mi m rngdo dao ng ha tr ca
lin kt O-H v mt mi ca dao ng ha tr C=O, c cng mnh hn ca cetone
hay aldehyde (bng 12).
Nhm
Bng 12: Tn s hp thu c trng ca carboxylic acid

Dao
Tn s(cm-1)
Ghi ch
ng
CO
VC=O
1725-1700 (m)
1760
1715-1680
OH
COO
VOH
-CO-O
3300-2500
675-590
570-545
Dimer
Monomer (gim khi mch carbon
cng di)
Acid thm hay acid -ethylenic
(acid thm c s kt hp ni phn
t gia nhm COOH v nhm OH
v tr ortho lm gim khong
50cm-1
Acid thng, di(n>3); mi ch ba
Acid thm
>C=CHCOOH
Carboxylate COO-: Ion carboxylate c hai vn hp thu do dao ng ha tr i
xng, bt i xng v mt vn do dao ng bin dng (bng 13).
33
33

Bng 13: Tn s hp thu c trng ca ion Carboxylate
Nhm
COO-
Dao ng
VC=O(x)
Tn s(cm-1)
Ghi ch
1610-1550(m)
Mi c trng, khi mui khng c nhm rt

in t.
Khi mui c nhm rt in t, v d CF3.
Mi ch hai hay ba khng c nhm rt in
t).
Khi mui c nhm rt in t.
1690
172-1700
1450
760-400
VC=O(bx)
-CO-O
Eter v lactone: Tt c cc eter v lactone u c mi hp thu c trng bi dao

ng C=O v O-C. Dao ng C=O chu nh hng ca cu trc hp cht ging nh
cetone (bng 11.14). Nhng - lactone v lactone vng ln (>=6) c tn s hp thu ca
C=O tng t eter. Nhng lactone vng nh nh - lactone c tn s dao ng tng mt
t.
Bng 14: Tn s hp thu c trng ca Eter v lactone
Nhm
Dao ng
Tn s(cm-1)
Ghi ch
CO
VC=O
COC
VC-O
1750-1725(m)
1730-1705(m)
1800-1750
1770-1740
1780-1760
1820
1275-1185 v
1160-1050 (m)
1310-1250 v
1200-1100 (m)
Eter thng, no
Eter thm hay khng no
Aryl v vinyl ester
Ester c nhm rt in t gn vo C-
Lactone nm cnh
Lactone bn cnh
Ester thng (hai mi)
Ester thm hay khng no
Halogenur acid: c dao ng ha tr C=O ph thuc vo loi halogen (bng 15).

Bng 15: Tn s hp thu c trng ca Halogenur acid
Nhm
CO
Dao ng
VC=O
Tn s(cm-1)
Ghi ch
Acid thng no:
1865-1840(m) Fluoride acid

1615-1790(m) Chloride acid
1805-1795
Bromide v iodide acid( Acid thm hay

khng no gim khong 25-45cm-1 so vi
34
34

acid no)
Mt s hp cht carbonyl khc
Ngoi cc hp cht k trn, cn nhiu hp cht khc cng c cha nhm
carbonyl nh amide CO-N<, imide CO-N-CO-, urea N-CO-N, Thioacid,
Thioester Bng 16 cung cp tn s hp thu c trng ca mt s hp cht carbonyl
thng dng khc.
Bng 16: Tn s hp thu c trng ca mt s hp cht carbonyl thng dng khc
Hp cht
CONH2
(amide bc 1)
Dao ng
VC=O
VN-H
NH
CONH
(amide bc 2)
O=C-N
Mch carbon
VC=O
VN-H
NH
O=C-N
Mch carbon
CON<
(amide bc 3)
VC=O
O=C-N
CONCO
(imide)
NCON
(urea)
VC=O
CONH
(thioacid v
thioester)
VC=O
VC=O
Tn s(cm-1)
1690
1650
3500-3400
3350-3200
1620-1590
1650-1625
700
1420-1400
1700-1670
1680-1630
3460-3300
3270-3100
1550-1510
1570-1515
700
1305-1200 v
700
1670-1630
700
1710 v 1700
1770 v 1700
1660
1640
1720
1720
Ghi ch
DD
Rn
DD long (hai mi)
DD m c (hai mi)
DD long (mt mi)
DD m c (mt mi)
Mt hoc nhiu mi hp thu
Mt mi
DD
Rn
DD long (mt mi)
DD m c (hai mi)
DD long (mt mi);ch c
amide mch h
DD m c (mt mi)
Mt hoc nhiu mi hp thu
Mt mi
DD v rn
Vng su cnh
Vng nm cnh
RNHCONHR
Vng su cnh
Vng nm cnh
35
35

3.5 Tn s hp thu ca hp cht Nitrogen:
Cc hp cht cha nitrogen bao gm cc amine, mui ca amine, imine, amidine,
nitrile, isonitrile, cyanamine, diazo, mui diazinium bao gm rt nhiu loi lin kt lin
quan n nitrogen nh lin kt NH, >C=N, >NC=N, C C c tn s hp thu
c tm tt trong cc bng 17 v 18 (mt s hp cht khc cng c cha nitrogen
nhng v cn c lin kt C=O nn c xp chung vi nhm hp cht caebonyl v
c gii thiu tn s hp thu trong bng 16).
Bng 17: Tn
s hp thuTn
c s(cm
trng -1ca
Nhm
Dao
) amine v mui ca
Ghiamine
ch
ng
NH2
(amine bc 1)
VNH(bx)
VNH(x)
NH
>NH
VNH
NH
CN
VCN
amine
nht)
NH
3 (mui
+
VNH
NH +
NH3
(aminoacid)
VNH+
NH
>NH2+
(mui amine nh)
-NH4+
(mui
ammonium)
VNH+
NH+
VNH+
NH+
3500 (tb)
3400 (tb)
3400-3330 (tb) v
3330-3250
1650-1560 (tb)
DD long
3350-3310
3310-3300
1580-1490 (y)
1515
1250-1020
1340-1250
1350-1280
1360-1310
3000-2800 (tb)
1600-1575 (m) v
1550-1504 (m)
3130-3030 (tb)
1600(m) v
1500(m)
2700-2250 (tb)
1620-1560 (m)
3300-3100
1435-1428
DD long (mt mi)

DD m c (mt mi)
Rt yu
Amine nh thm (mt mi)
Amine thng, khng lin hp
Amine thm, nht
Amine thm, nh
Amine thm, tam
Vn m rng
D bin dng (hai mi)
DD m c (hai mi;i xng

v bt i xng)
DD bin dng li ko
o th rn
D bin dng(hai mi)
Vn m rng-o th rn
D bin dng (mt mi)
Vn m rng
Mt mi
Bng 18: Tn s hp thu c trng ca imine(>C=N), amidine(>NC=N), nitrile(

C=N), isonitrile(N C)cyanamine (>NC N), cyanide(C N), diazonium (ArN=N+,
X-)
36
36

Nhm
Dao
ng
Tn s(cm-1)
NH
(ca imine)
C=N(ca imine)
C=N
(amidine)
C N (nitrile)
VNH
34003300 (tb)
VCN
VCN
16901620
1681580
1515
22602250(b)
22302220(b)
VCN
CN
N C
VCN
390-350
580-540
V 430-380
2175-2150
2150-2115
(isonitrite)
>NC N
(cyanamine)
C N
(ca cyanide)
N=N
(hp cht diazo)
ArN=N+, X(mui iazonium)
CNO2
(nitro)
RONO2
(nitrate)
NNO2
(nitramine)
CN=O
N+O thm
N+O bo
VCN
2225-2210
VCN
VCN
2250-2000
2080-2070
1575(y)
VCN
2300-2230 (m)
VN=O(bx)
VN=O(x)
VN=O(bx)
VN=O(x)
VN=O(bx)
VN=O(x)
VN=O(bx)
VN=O(x)
1560 (m)
1350
1650-1600(m)
1270-1250(m)
1630-1550(m)
1300-1250(m)
1600(m)
1500(m)
1300-1200(m)
970-950(m)
VCN
Ghi ch
Mi imine
Mi Amidine rn
DD
Nitrile thng, no
Nitrile khng no, lin hp hay
thm(cng bin i theo mch
carbon, theo h thng ni Pi lin hp,
to phc vi kim loi dng
C N
M)
Nitrile thng, no
Nitrile thm (hai mi)
Isonitrile thng
Isonitrile thm(Isonitrile c mi hp
thu c trng phn bit vi nitrile
1595 cm-1)
Mui dng rn
Mui trong DD
Rt yu hoc khng xut hin v lin
kt-N=N- khng phn cc
Khi lin hp gim khong 30cm-1

Khi lin hp gim khong 30cm-1
Rt mnh
Mnh
3.6 Tn s hp thu ca hp cht cha phosphor:

Bng 19: Tn s hp thu c trng ca hp cht cha phosphor
Nhm
Dao ng
Tn s(cm-1)
37
37
Ghi ch

P H
VP-H
P=O
P-H(nmp)
P-H(nmp)
VP=O
P OH
P O P
P O C
P O C
2440-2350(m)
1090-1080
940-909
1150
1190
1299-1250
1040-910
1000-870
1050-970
1260-1160
VP=O
Nhn
Phorus oxide thng

Phorus oxide thm
Phosphoric ester
Rng
P-O-C thng
P-O-C thm
3.7 Tn s hp thu ca hp cht cha lu hunh:

Bng 20: Tn s hp thu c trng ca hp cht cha cha lu hunh
Dao ng
VS-H
Tn s(cm-1)
2600-2550 (y)
>S=O
VC=S
VN-H
VC=S
N-H
VS=O
1200-1050
3400
1300-1100 (m)
1550-1460 (m)
1060-1040 (m)
>SO2
VS=O
1370-1310 (m)
1180-1120 (m)
1420-1330 (m)
1200-1145 (m)
Nhm
S H
(ca imine)
>C=S
CS NH
(Thioamide)
SO2 O
Ghi ch
Yu hn VO-H v t b nh hng bi
lin kt hydrogen
3150 cm-1 khi th rn
D ha tr bt i xng
D ha tr i xng
3.8 Tn s hp thu ca hp cht cha ni i lin nhau:

Bng 21: Tn s hp thu c trng ca mt s hp cht cha ni i lin nhau
Nhm
O=C=O
Carbon dioxide
N=C=O
Isocyanate
N=N=N
Dao ng
Tn s(cm-1)
2349 (m)
Ghi ch
2275-2250 (m) Rt mnh; V tr khng b nh

hng bi lin hp
2160-2120 (m)
38
38

Azit
N=C=N
Carbodilmide
>C=C=O
Cetene
N=C=S
Isothiocyanate
2125-2130 (m) Rt mnh

2150 (m)
2140-1990 (m) Vn rng v rt mnh
>C=C=NCeteneimine
C=C=C
Allen
2000 (m)
1950 (tb)
Nhm allen u mch hoc lin hp

vi nhm ht electron thng c hai
vn
3.9 Tn s hp thu ca hp cht cha halogenur:

Bng 22: Tn s hp thu c trng ca mt s hp cht cha halogenur
Nhm
Dao ng
Tn s(cm-1)
C F
VC-F
CF2,CF3
C C Cl
VC-F
VC-Cl
1400-730:
1100-1000
1350-1120
830-560:
VC-C
C-F
726
649
760-505 (m)
CCl3
VC-Cl
450-250
830-700
CH2 Cl
C Br
CH2
VC-Br
C-Br
1230 (m)
650-485 (m)
300-140
C I
VC-I
CH2 I
CH2 CH2 I
CH2
600-200
610-485
1170 (m)
594 v 503
Ghi ch
Monofluoralkane
Thay i theo v tr khng gian ca

halogenur trong phn t
Dng trans ziczac C-C-C-Cl
Dng Gt
Rt mnh; c mi ha tn khong
1510-1450 cm-1.
Mch thng
Hai vn
39
39

Aryl-halogen
VC-F
VC-Cl (para)
VC-Cl (meta)
VC-Cl (ortho)
VC-Br (para)
VC- Br (meta)
VC- Br (ortho)
VC-I (para)
1270-1100
1096-1089
1078-1074
1057-1034
1073-1068
1073-1065
1042-1028
1061-1057
d. K THUT THC NGHIM V NG DNG PHNG

PHP QUANG PH HNG NGOI:
4.1 My quang ph IR:
Ph k hng ngoi thng dng hin nay l loi t ghi, hot ng theo nguyn tc
nh sau: Chm tia hng ngoi pht ra t ngun c tch ra hai phn, mt i qua mu
(2) v mt i qua mi trng o (dung mi) (2) ri c b to n sc (3) tch thnh
tng bc x c tn s khc nhau v chuyn n detector (4). Detector s so snh cng
hai chm tia v chuyn thnh tn hiu in c cng t l vi phn bc x b
hp thu bi mu. Dng in ny c cng rt nh nn phi nh b khuch i (5)
tng ln nhiu ln trc khi chuyn sang b phn t ghi (6) v ln bn ph hoc a vo
my tnh x l s liu ri in ra ph.
Hnh 6: S nguyn l my ph hng ngoi hai chm tia

Cc my ph hng ngoi th h mi c ch to theo kiu bin i Fourier
(Fourier Transformation Infrared Spectrometer-FTIR Spectrometer). Trong cc my
ny, ngi ta dng b giao thoa (giao thit k) Michelson thay cho b to n sc.
Giao thoa k Michelson l thit b tch chm bc x thnh hai thnh phn c
cng bng nhau ri sau kt hp tr li thnh bc x c cng thay i theo
thi gian. S thay i cng bc x ny l do qung ng i ca hai bc x b tch
ra khng ging nhau. Gi tr I(t) l hm ca hiu s hai qung ng i ni trn. Giao
thoa k gm mt gng c nh M, gng di ng M2 (c th di chuyn tnh tin trn
40
40

mt ng thng nm ngang) t vung gc nhau v b phn chia chm sng S. Chm
bc x t ngun i qua b phn tch S chia thnh hai chm bc x vung gc, mt
chm i n gng c nh M cn mt chm i n gng c nh M2. Khi gp gng
chng phn x tr li b phn tch S. n y mi chm li chia thnh i, mt na i
v ngun cn mt na i qua mu o n detector. Nh vy, chm bc x n mu o
gm hai bc x nhp li c thi gian tr khc nhau nn cng bc x thay i theo
thi gian, ph thuc vo qung ng d ca bc x n gng di ng M2 (H.7)
Hnh 11.7 Cu to giao thoa k Michelson

Detector s ghi nhn s bin i cng bc x theo qung ng d ri chuyn
thnh tn hiu in. Tn hiu u tin thu c di dng hm ca in th V theo
qung ng V=f(d), c my tnh dng php bin i Fourier chuyn thnh hm ca
cng I theo nghch o ca qung ng d ( tc d-1 hay s sng v) :
V = f(d)I = f(v)
So vi my hng ngoi th h c, my hng ngoi bin i Fourier (H.11.8) c rt
nhiu u im: vic s dng giao thoa k cho php khe sng rng hn nn cng
bc x vo detector s ln hn; t l S/N tng ln nh gim c nhiu; nh s dng
my tnh, vic o ph c t ng ho mc cao v ph c th c lu tr v i
chiu vi ph chun c trong th vin ca my.
41
41

Hnh 8: S nguyn l my ph hng ngoi bin i Fourier
Trong qu trnh lm vic, khung s sng ca my ph hng ngoi c th b lch.
kim tra, ngi ta thng s dng cc cht chun nh polystirene, ammonia hoc
hi nc.
4.2 Cch chun b mu:
Ngi ta c th o ph hng ngoi ca cc cht th rn, th lng tinh khit, trong
DD hoc th hi.
Mu th rn:
C ba cch o khi mu th rn:
Nghin nh vi mg cht nghin cu vi mt vi git parafin lng (nujol) v p
phn thu c gia hai tm NaCl. trnh cc vn hp thu mnh ca parafin 29502850 cm -1 v 1450-1350 cm -1 khi kho st s hp thu ca cc nhm C-H, ngi ta c
th thay parafin bng hexachlor butadien.
Trn mu tht ng u vi KBr theo t l 1:10 hoc 1:100 ri p thnh cc vin
mng hu nh trong sut bng my p thu lc. Do KBr c tnh ht m, trn ph hng
ngoi thng xut hin cc vn hp thu ca nc 3450 cm -1 . Dng KBr cng cu lu
n kh nng xy ra phn ng trao i cation hoc anion trong trng hp cht nghin
cu l mui hoc phc cht v c.
o ph cc cht rn dng mng lng bng cch lm nng chy cht nghin cu
hoc lm bay hi dung mi DD cht nghin cu i vi cc cht c kh nng to c
mng.
Mu th lng tinh khit:
Khi mu th lng tinh khit, ngi ta c th chun b mu bng cch p mt git
nh cht lng gia hai tm NaCl c mt mng mng dy khong 0,01-0,1mm, gi l
mng lng.
Mu trong DD:
Ho tan cht nghin cu bng dung mi thnh DD c nng 1-5%. Cho DD v
dung mi nguyn cht vo hai cuvet c b dy 0,1-1mm v bng vic so snh hai chm
tia i qua DD v dung mi c th loi c vn hp thu ca dung mi. Dung mi khng
c php hp thu qu 65% bc x chiu vo v cng bc x cn li s qu yu.
Ngoi nh hng do bn cht ca dung mi, cng cn lu n b dy ca cuvet.
Nhng dung mi thng c s dng l CCl4, CHCl3, CH2Cl2, Cl2C=CCl2 Mc
d vng khng hp thu ca CHCl3 hp hn CCl4 nhng kh nng ho tan cc cht ca
CHCl3 tt hn nn thng c s dng nhiu hn, c bit l c th o DD c hn
trong cc cuvet c b dy nh hn. Cc cuvet thng c ca s bng NaCl, CaF2 hoc
AgCl th ca s s b en sau mt thi gian s dng.
Mu th hi:
42
42

Khi mu th hi, hi s c a vo mt ng c bit c chiu di khong 10
cm vi hai u ng c bt bng cc tm NaCl.
Trong thc t phn tch cc cht hu c phc tp, ngi ta thng s dng my
hng ngoi c ghp vi my sc k kh. Trong h thng sc k kh-hng ngoi
(GC/IR), sau khi c tch bng my sc k kh, mi hp phn i ra t ct sc k (tng
ng vi mi peak trn sc k ) s c ghi ph hng ngoi (thng dng FTIR) v
c lu gi trong b nh ca my tnh. My c th in ra nhng ph hng ngoi ca
cc hp phn ng vi cc peak trn sc k m ta quan tm. Nh so snh cc ph mu
vi th vin ph chun lu trong my tnh, my c th ch r cu to ca cc hp chun
hoc cho bit cc nhm chc c mt trong hp phn .
4.3 ng dng:
Cc s liu ghi nhn c t ph hng ngoi cung cp rt nhiu thng tin v cht
nghin cu. Di y l mt s ng dng ca phng php quang ph hng ngoi
4.3.1 ng nht cc cht:
S liu hng ngoi l mt c trng c th s dng cho qu trnh ng cht ht sc
hu hiu. T s ng nht v ph hng ngoi ca hai mu hp cht c th kt lun s
ng nht v bn cht ca hai mu hng ngoi vi mc chnh xc kh cao. thc
hin qu trnh ng nht, ngi ta thng so snh ph ca cht nghin cu vi ph
chun c ghi trong cng iu kin xc nh (hin nay ngi ta thnh lp c b
ph chun ca hng ngn hp cht hu c khc nhau gi l Atlas ph hng ngoi). Nu
cht nghin cu cha c trong Atlas, ngi ta so snh ph ca cht chun theo ba giai
on sau y:
So snh ph hai cht cng nng trong hai mi trng khc nhau hai trng
thi khc nhau ( v d, trong DD v trong cc vin nn).
Ghi ph cc cht nng ln so snh cc vn c cng thp.
So snh cng cc vn tng ng vi nhau.
4.3.2 Xc nh cu trc phn t:
T tn s ca cc vn ph hp thu cho php kt lun s c mt ca cc nhm chc
trong phn t, ngha l s liu hng ngoi c th gip xc nh cu trc phn t ca cht
nghin cu. Mc chnh xc ca vic xc nh cu trc ph thuc rt ln vo tin
cy, chnh xc ca cc tn s vn hp thu trn ph hng ngoi (cc my hng ngoi
thng c hiu chnh tn s bng cht chun polytyrol). Ngoi vic phng cc sai
lch v tr vn ph do my, khi tin hnh nh tnh bng phng php ny cng cn lu
n cc hiu ng kh nng lm dch chuyn ph v vng khc cng nh phi loi tr
cc vn hp thu ca dung mi.
4.3.3 Nghin cu ng hc phn ng:
Vic nghin cu ng hc phn ng c th c kim tra bng phng php ph
hng ngoi bng cch ghi ph hp thu ng vi mt min ph no trong tng khong
43
43

thi gian thch hp, ngha l s ghi c trc tip ng cong biu din s thay i
cng hp thu theo thi gian min ph chn do s to thnh sn phm phn ng
hay mt k tc cht ban u.
4.3.4 Nhn bit cc cht:
Trc khi ghi ph hng ngoi, ni chung ta c th c nhiu thng tin v hp
cht hoc hn hp cn nghin cu, nh: trng thi vt l, dng bn ngoi, tan, im
nng chy, im chy, c bit l lch s ca mu.
Nu c th th cn bit chc mu l cht nguyn cht hay hn hp. Sau khi ghi ph
hng ngi, nu cht nghin cu l hp cht hu c th trc tin nghin cu vng dao
ng co gin ca H xc nh xem mu thuc loi hp cht vng thm hay mch
thng hoc c hai. Sau nghin cu cc vng tn s nhm xc nh c hay khng
c cc nhm chc.
Trong nhiu trng hp vic c ph (gii ph) v tm cc tn s c trng khng
nhn bit mt cch ton din v cht nghin cu, nhng c l l c th suy on
c kiu hoc loi hp cht.Cng cn trnh khuynh hng c gng gii v gn cho
mi m ph quan st thy, nht l nhng m ph va v yu trong vng ph phc tp.
Mi khi pht hin mt loi cht, ngi ta so snh ph ca cht nghin cu vi ph ca
cht nguyn cht tng ng c th nhn nh ng.Hin nay ngi ta cng b mt
s tuyn tp ph hng ngoi ca cc cht v cc tn s nhm c trng.
4.3.5 Xc nh tinh khit:
Ph hng ngoi c dng xc nh tinh khit ca cc cht
Khi thch hp cht khng tinh khit th thng r nt ca m ph ring bit b gim,
s xut hin thm cc m ph s lm "nho" ph. Khi tp cht c s hp th mnh IR
m thnh phn chnh khng hp th hoc hp th yu th vic xc nh rt thun
li.
V d c th nhn ra mt lng nh xeton trong hidrocacbon v hidrocacbon thc
t khng hp th vng ph - 1720cm-1 l s sng c trng cho nhm C = O
Phng php ny thng c dng kim tra sn xut rt nhiu loi ho cht quy
m cng nghip.
4.3.6 Suy on v tnh i xng ca phn t:
V d xt xem phn t NO2 l phn t gm cc nguyn t thng hng hay c cu
to un vng. Thc t cho thy ph hp th IR ca NO2 c 3 m 750, 1323, 1616cm 1
(khng ging nh CO2 ch c 2 m ph, nn phn t NO2 phi c cu to un vng.
4.3.7 Phn tch nh lng:
Kh nng ng dng ph hng ngoi nh l mt ngnh ca phn tch nh lng
ph thuc trang thit b v trnh ca cc phng th nghim. Ngy nay, s ra i ca
cc my quang ph hng ngoi hin i, s tng t l tn hiu/nhiu lm cho vic phn
44
44

tch nh lng cng thm chnh xc v do m rng c phm vi phn tch nh
lng.
V nguyn tc, vic phn tch nh ng theo phng php ph hng ngoi da
vo nh lut c bn ca Lambert Beer:
A=lg(Io/I)=abc
A: hp th tia IR
Io: Cng bc x trc khi qua mu, I: cng bc x sau
khi qua mu.
a: H s hp th, b: b dy ca mu.
c: Nng cht nghin cu.
Thc t, ngi ta ch xc nh nng ca mt trong cc nhm chc ca hp cht
cn phn tch.
V d: c th xc nh nng ca hexanol theo hp th ca lin kit O-H.
V thc nghim, c 2 cch xc nh hp th A.
a. Phng php ng chun:
V d: Xc nh mt cht dng dung dch.Chn s sng thch hp, cho dung dch
cn o vo cuvt. Ch s o trn my t l vi I. Li cho dung mi nguyn cht vo
Cuvet. Ln ny ch s o c t l vi Io.Theo h thc trn, xc nh c A tng
ng vi nng C. nhng my hin i, gi tr A c tnh v ghi trc tip. T cc
nng khc nhau bit, o cc gi tr A tng ng, v th A - C.Sau vi nng
cn xc nh, cng o A nh trn ri theo th chun m tm C.
b. Phng php ng nn:
C khi gi tr A cho trc tip trn my.Nu hn hp c nhiu thnh phn c cc
m ph xen ph nhau th tm nng ca tng thnh phn phi gii h phng trnh
nhiu n (tng t nh phng php ph in t).
Kt qu thu c theo phng php ph hng ngoi b nhng hn ch sau:
-
Cuvet ng mu thng lm bng NaCl, KBr rt mm, d b bin dng, do b

dy ca mu (gi tr b) c th thay i t mu ny sang mu khc. Cuvt cng c
th b tc ng ho hc ca dung mi. Do dn n sai s trong php o. Sai s
ca php o cng cn do nhng nguyn nhn khc.
Do hiu ng tp hp ca cc phn t cht ho tan c th dn n s thay i tn

s hp th, hnh dng, cng hp th.
Do my quang ph hng ngoi khng phn gii cn thit nn khng kh

nng
o
c
nhng
m
ph
c
tn
s
rt
hp.
45
45

Mc d phng php ph dao ng l mt trong nhng phng php hu hiu
nht xc nh cc cht v nh tnh cng nh nh lng, c ng dng rng ri
trong nghin cu khoa hc cng nh trong kim tra cng nghip, phng php ny cng
c nhng hn ch nht nh:
-
Bng phng php ph hng ngoi khng cho bit phn t lng (tr trng hp
c
bit).
- Ni chung ph hng ngoi khng cung cp thng tin v cc v tr tng i ca
cc nhm chc khc nhau trn mt phn t.
Ch ring ph hng ngoi th i khi cha th bit l cht nguyn cht hay
cht hn hp v c trng hp 2 cht c ph hng ngoi ging nhau.
e. NG DNG PH HNG NGOI TRONG THC PHM:

Quang ph hng ngoi (IR) c xem l k thut phn tch c ng dng nhiu
trong phn tch thc phm. K thut ny c coi l sch v tt v khng s dng ho
cht, khng c vn v sc kho v an ton.
IR phn tch d lng axit amin trong protein, nh gi cht lng ca cht bo,
protein thnh phn ca cc sn phm sa v ht. Phn bit gia bt c, bt tht, bt u
nnh c trong mu. phn tch thnh phn ha hc cc sn phm thc phm nh phomat,
ng cc, bnh ko, tht b.
Phng php quang ph IR d dng thc hin v rt hu ch trong vic loi b cc
nguyn liu, sn phm thc phm m ta ngh ng khng t cht lng.
PHN TCH THNH PHN CHNH
Phn ln cc ng dng ca IR bao gm cc phn tch cc thnh phn chnh nh
nc, protein, cht bo hoc ng.
5.1
Nc:
Vic o m c th l mt trong nhng ng dng chnh ca pp NIR.
Nc tinh khit c di hp th mnh ti 970, 1190, 1440 v 1940 nm . Sng dao
ng mnh lit, cao nht ti 1940 nm. N l s kt hp rung ng ca cc sng c tn

s cao thp khc nhau. Cc sng ti 970 v 760 nm tng ng l nhng dao ng th
hai
th
ba
ca
cc
rung
46
46
ng
ko
di.

V tr v hnh dng ca cc di hp th nc b nh hng bi nhiu yu t
nh: nhit , nng cht tan v ht kch thc ca mu. Tnh cht ca lin kt hydro
c mt tc ng n hnh dng ca quang ph trong khu vc ph 1400-1500 nm.
Trong bt m, la m, hm lng nc t l vi s khc bit gia hp th 940
v ti 2310 nm (Osborne et al 1993). Tuy nhin, n thng cn thit p dng
phng trnh hiu chnh phc tp hn d on, lng nc trong thc phm.
Vic o m bng phng php IR c th chnh xc nh l phng php tham kho.
i vi hu ht cc sn phm ng nht, chng hn nh bt, nhng c th thay i ty
theo sn phm khng ng nht c em i nghin cu.
Cc kt qu khi o tng nguyn liu ring chnh xc hn so vi hn hp phc
tp. m o c c th b sai lch 0,15-0,8% ty thuc vo thc phm em phn
tch.
5.2
Protein :
Ph IR ca cc protein l phc tp v kh gii thch. Ngi ta s dng
phng php cn hng ngoi (NIR)

Cc protein c c tnh hp thu cc bc sng n 1523, 1600 nm, 2050 v 2180
nm. Cc boc sng ti 2180 nm thng c s dng trong phn tch protein.
( Osborne v cng s (1993)).
V d : v phng trnh d on protein trong bt m:
%pr = 12,68 + 493,7*A2180 - 323,1*A2100 - 243,4*A1680
A2180 l hp th ti 2180 nm.
323,1 * A2100 l yu t cn thit cho phn nh quang ph ca tinh bt, c th bao
gm cc di hp th ca protein n 2180 nm.
Vic hp th 1680 nm nh mt c s tham chiu ca quang ph.
Phn tch cc sn phm protein n gin nh bt l rt chnh xc. Tuy nhin i vi cc
cht khng ng nht v thc n vi cc thnh phn hn hp n c sai lch 0,16-0,45%.
47
47

5.3 Lipid:
Lipid cho quang ph n gin trong ch yu l i din ca hydrocarbon
chui axit bo.
Cc di hp th chnh xut hin n 1734, 1765, 2304 v 2348 nm.
Cc cht bo c phn tch bi IR trong nhiu sn phm, vi chi tit khc nhau.
Ty sn phm c mc cht bo cao hay thp hn, nhiu sn phm th c hm lng
lipid thp. Trong trng hp ny nhy v chnh xc ca phng php c th
khng tin cy.
5.4 Glucid:
Glucid c tm quan trng ln trong thc n ng vt.
Theo tnh cht sinh ha ca n, glucid c vai tr dinh dng rt khc nhau.
Cc vng quang ph hp th mnh nht l gia 2070 v 2110 nm, ni carbohydrate c
di hp th mnh do sng ko di rung ng ca nhm CO v OH
Khu vc ny c th phn bit cc loi ng n gin trong cc polyme ca chng.
saccharose c phn tch trong nhiu loi thc phm dnh cho con ngi v ng vt,
vi sai s t 0,2 n 1%.
N gip xc nh d dng lng saccharose thm vo thc phm da vo kt qu phn
tch ng dng t nhin.
5.5 Cht x :
Phng php Van Soest l mt phng php ni ting xc nh hm lng cht x.
phng php o lng NDF (Neutral Detergent Fibre) v ADF (Acid cht ty ra cht
x).
NDF tng hm lng hemixenluloza, cellulose v lignin, trong khi ADF ch xc nh
hm lng cellulose v lignin.
Phng php ny c th phn tch cc thng s trn vi chnh xc cao.
5.6 mt s ng dng khc:
- trong thc phm:
48
48

+ Xc nh hm lng tro, bo, x, m, m, phospho trong bt c v thc n gia
sc.
+ Xc nh hm lng bo trong chocolate v kem, sa chua.
+ Xc nh hm lng bo, m, nc, acid bo bo ha, acid bo khng bo ha
trong sa.
+ Xc nh hm lng bo, m, m trong tht, tht b, tht b, tht heo, tht g, ...
+ Xc nh hm lng tro, bo, m, m v thnh phn amylose trong go.
-
Cng nghip dc phm :
+ Xc nh mc este ha ca acid acetic trong benzyl alcohol.

+ Xc nh hm lng nc cn d sau khi sy kh lnh
+ Xc nh hm lng nc trong dung mi
+ Xc nh hm lng acid nitric trong dn xut pyridine
-
Cng nghip Ha cht :
+ Xc nh hm lng cht keo trong hn hp dung mi (40-50%)

+ Xc nh hm lng nc trong polymer phn tn
+ Xc nh mc este ha trong ha cht cng nghip
+ Xc nh hm lng cyanamide trong dung mi (10-60%)
Dinh dng:
phng php IR thng xc nh c cc gi tr dinh dng tiu chun ca thc phm
nh tiu ha cht hu c hoc nng lng .
D on cc hm lng s dng l tuyn tnh v c da trn phng trnh c dng:
Gi tr dinh dng = hng s + [protein] + [lipid] + [carbohydrates] +....
Trong , , ... l cc h s
T IR xc nh cc thnh phn ring l, c th s dng phng php phn tch
nh gi gi tr dinh dng ca nguyn vt liu hoc hn hp nghin cu.
49
49

Mt s nghin cu cng b c thc hin u tin d on mi thnh phn
sau p dng mt m hnh tuyn tnh mi xc nh gi tr dinh dng ca
thc phm.
Mt cch khc l d on trc tip gi tr dinh dng t pp NIR. Tuy nhin, phng
php, ti liu tham kho o lng gi tr dinh dng thc phm l rt di thc
hin v rt tn km. Cc vn chnh l phi c s lng mu phn tch hiu chnh
quang ph IR.
f. NHNG LOI MY QUANG PH TRN TH TRNG

HIN NAY:
6.1 My quang ph hng ngoi bin i Fourier:
Thng tin chi tit

My quang ph hng ngoi bin i Fourier (FT-IR)
Model: Nicolet 6700 - ThermoNicolet (M)
t tnh k thut:
- phn gii quang hc : 0.09 cm 1
- chnh xc s sng: 0.01 cm-1
- tuyn tnh theo tieue chun: ASTM: <0.07%T
- nhiu gia cc nh: (qut 1 pht) <8.68 x10-6 AU (50000:1)
- nhiu RMS: (qut 1 pht): <1.95 x 10-6 AU
- Di ph (thang d): tiu chun 7800 - 350cm-1 s dng b tch tia KBr
- Tc qut chm nht: 0.158cm/giy
- Tc qut nhanh nht: 6.33cm/giy
- S tc qut: 15
- Tc qut nhanh (ph/giy @16cm-1, 32cm-1): 65.95
- Kh nng tng cng sut trong ch Turbo: 25%
- Bc sng: 12500 - 350cm-1
- khe sng: c th iu chnh khe ph hp theo yu cu: 0.8, 1, 2,
4,8, 16cm-1
50
50

- T s S/N: <8.68 x 10-6 AU (50000: 1)
- chnh xc bc sng: 0.01 cm-1
- lch chun: 0.07%T
- in p: 220 - 240V/50Hz
- Kch thc: 69.2 x 65.5 x 25.4cm (Rng x su x cao)
- Khi lng: 69 kg
Cc tiu chun p dng: CE v ISO 9001
6.2 My quang ph hng ngoi gn (FT-NIR):
My quang ph hng ngoi gn (FT-NIR) c s dng rng ri trong phn tch
ha hc t. y l mt cng c nhanh v chnh xc phn tch mu lng, rn v vt
liu keo m khng lm ph hy mu, tit kim chi ph bng cch gim thi gian thc
hin v ha cht s dng.
H thng c tch hp gng cu (integrating sphere), dng cho phn tch cc
vt liu khng ng nht di dng phn x khuch tn m khng cn chun b mu.
Phn tch hiu qu, tn t chi ph nh s dng cc dng c d ra nh cc mu, beaker,
a Petri thm ch bc nha. H thng cho php thc hin c hai phng php o truyn
qua hoc phn x.
Cc lnh vc ng dng chnh trong thc phm v thc n gia sc bao gm: sn
xut b sa v tht, thc ung, thnh phn bnh m v gia v cng nh ht, ging,
thc n gia sc. y, cc tham s nh protein, cht bo, tinh bt, m, kh c
phn tch, cng c th phn tch cc tham s chuyn su hn nh hm lng cn, nit.
Model MPA l s la chn hon ho cho yu cu v qun l cht lng. Xc nh
v nh gi vt liu th v phn tch s lng sn phm cng thc hin c bo
m cht lng sn phm cao nht v an ton cho ngi tiu dng. Tt c nhng iu
trn c trng i nhiu hn my quang ph hng ngoi MPA FT-NIR.
c tnh k thut:
phn gii: 2 cm-1
Kh nng lp li s sng: Tt hn 0.04 cm-1
chnh xc s sng: tt hn 0.1 cm-1
chnh xc trc quang: tt hn 0.1% T
B giao thoa k: RockSolidTM, c cn chnh c nh vnh vin, n nh
cao.
Ngun hng ngoi: Ngun NIR c lm lnh bng khng kh nng lng
cao.
Laser loi 1: an ton ti a cho ngi s dng.
B tch tch tia bng thch anh (Beamsplitter Quartz): cht nn vi lp ph
ngoi c cp bn quyn.
B qut: c cu khng mn (khng ma st) (khng cn khng kh nn), 4
tc gng c th la chn c.
B chuyn i A/D: 24-bit.
Chun d liu (Validation): B chun trong (Internal Validation Unit - IVU).
51
51

Kch thc my quang ph:
40.0(W) x 58.9(D) x 26.2(H) cm (dng c bn)
54.9(W) x 58.9(D) x 39.1(H) cm (dng hon chnh)
Khi lng: 30 - 40 kg (ph thuc vo cu hnh my)
Ngun: 100 - 240 VAC, 50, ti a 180 W
Giao thc my tnh: kt ni Ethernet.
C. KT LUN
Vic tm hiu phng php ph hng ngoi cho ta thy y l phng php phn
tch rt hiu qu, phng php ny cung cp thng tin v cu trc phn t nhanh, khng
i hi cc phng php tnh ton phc tp.
Kh nng ng dng ph hng ngoi nh l mt ngnh ca phn tch nh lng ph
thuc trang thit b v trnh ca cc phng th nghim. Ngy nay, s ra i ca cc
my quang ph hng ngoi hin i, s tng t l tn hiu nhiu lm cho vic phn tch
nh lng cng thm chnh xc v do m rng c phm vi phn tch nh lng.
Ph hng ngoi c dng xc nh tinh khit ca cc cht, phn tch c
cc mu th rn, mu th lng tinh khit, mu trong dung dch, mu th hi. Cc
s liu ghi nhn c t ph hng ngoi cung cp rt nhiu thng tin v cht nghin cu
v c nhiu ng dng nh vic ng nht cc cht, xc nh cu trc phn t, nghin
cu ng hc phn ng.
D. TI LIU THAM KHO

1. Nguyn Th Thu Vn, Phn tch nh lng, NXB i hc Quc gia TP.HCM,
2004.
2. GT phn tch thc phm, Trng DH Cng Nghip TP. HCM
3. PGS, TSKH. Nguyn nh Triu, Cc phng php phn tch Vt l v Ha l
Tp 1, NXB Khoa hc v K thut, H Ni, 2001.
4. Dng i Phng, Quang ph phn t v ng dng, NXB i hc Quc gia
TP.HCM, 2002.
52
52

5. Ths. L V Tun Hng, trng HKH T nhin TS.Nguyn Anh Tun, Vin
ITMS, H Bch khoa H Ni, ng dng vt l vo pht trin, sn xut v i
sng, TP.HCM, 2004.
6. Nguyn Th Hoa, Bo co tt nghip vi ti Xc nh cc axt bo bng
phng php ph dao ng FT RAMAN, Ph hng ngoi IR kt hp vi tnh
ton lng t, Kha lun tt nghip Khoa Vt l Trng HKHTN.
7. http://www.congnghehoahoc.org/forum/showthread.php?t=913 Din n cng
ngh ha hc.
8. Francis Rouessac and Annick Rouesssac, Chemical Analysis Modern
Instrumentation Methods and Techniques, 2007 by John Wiley & Sons Ltd.
53
53

196438425 PHƯƠNG PHAP PHỔ HỒNG NGOẠI VA ỨNG DỤNG TRONG THỰC PHẨM

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196438425 PHƯƠNG PHAP PHỔ HỒNG NGOẠI VA ỨNG DỤNG TRONG THỰC PHẨM

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B CNG THNG

TRNG I HC CNG NGHIP TP. H CH MINH

VIN CNG NGH SINH HC THC PHM

MN: PHN TCH THC PHM

GVHD : Nguyn Khc Kim

Ph Hng Ngoi v ng Dng Trong Thc Phm

VIN CNG NGH SINH HC THC PHM

MN: PHN TCH THC PHM

Trn Anh Duy

GVHD : Nguyn Khc Kim

Ph Hng Ngoi v ng Dng Trong Thc Phm

Ph Hng Ngoi v ng Dng Trong Thc Phm

Ph Hng Ngoi v ng Dng Trong Thc Phm

5.2 Protein :....................................................................................................................................... 47

Ph Hng Ngoi v ng Dng Trong Thc Phm

Ph Hng Ngoi v ng Dng Trong Thc Phm

b. I CNG V PH HNG NGOI:

Ph Hng Ngoi v ng Dng Trong Thc Phm

2- Trung hng ngoi ( medium infrared) = 2,5 50m

Ph Hng Ngoi v ng Dng Trong Thc Phm

Hnh 1: M hnh quay t cng phn t hai nguyn t

c gi l khi lng rt gn ca phn t:

Ph Hng Ngoi v ng Dng Trong Thc Phm

J l s lng t quay, c gi tr bng khng hoc nguyn dng ( J= 0,1,2,3).

Mt s mc nng lng quay thp ca phn t hai nguyn t v cc chuyn dch

Hnh 2: a. Mt s mc quay thp ca phn t hai nguyn t v cc chuyn dch c

1 (+1: hp thu, -1: pht x)

Theo m hnh cng, ph quay ca phn t hai nguyn t l mt dy vch u nhau

Ph Hng Ngoi v ng Dng Trong Thc Phm

Th hai, hp thu bc x vi sng, phn t phi c momen lng cc trng thi

Bi ton dao ng nh trn c th a v trng hp bi ton tnh dao ng ca

Ph Hng Ngoi v ng Dng Trong Thc Phm

Vi l khi lng thu gn ca hai qu cu ni trn

Ph Hng Ngoi v ng Dng Trong Thc Phm

Hnh3: a) ng cong th nng v cc mc nng lng dao ng ca phn t hai

n: s lng t dao ng ( n = 0,1,2,3)

Ph Hng Ngoi v ng Dng Trong Thc Phm

Tng ng vi s chuyn mc ( 0 1) gi l vch c bn.

3) l vch tn th hai ( c s sng

Hnh 4: ng cong th nng v cc mc nng lng dao ng ca phn t hai nguyn

Ph Hng Ngoi v ng Dng Trong Thc Phm

Ph Hng Ngoi v ng Dng Trong Thc Phm

Hnh 5: Cc kiu dao ng trong phn t nc

Ph Hng Ngoi v ng Dng Trong Thc Phm

Ph Hng Ngoi v ng Dng Trong Thc Phm

V d: l X th lin kt C-X s cho tn s c trng nu tn s ca C-X khng ri

Ph Hng Ngoi v ng Dng Trong Thc Phm

Lin kt C vi X l Cl, Br, I, SH cho tn s c trng, cn C-O, C - N, C - F

Cho nn nu thy xut hin cc tn s tng ng, ta c th kt lun mt cch

2.5 Cc yu t nh hng n tn s c trng nhm:

Ph Hng Ngoi v ng Dng Trong Thc Phm

Bng 1: S sng hp thu hng ngoi do dao ng ha tr ca mt s hp cht c bc

i vi ni i C=C, nhng nhm ht electron lm gim mt electron, do

Ph Hng Ngoi v ng Dng Trong Thc Phm

Ph Hng Ngoi v ng Dng Trong Thc Phm

Ph Hng Ngoi v ng Dng Trong Thc Phm

c. HP THU HNG NGOI CA MT S HP CHT HU

Ph Hng Ngoi v ng Dng Trong Thc Phm

2975 2950 (m)

2885 2870 (m)

1465 1440 (tb)

D bin dng trong mt phng

1390 1375 (tb)