CNG N TP

MN C S L THUYT CC PHNG PHP PH

1. Bi tp IR
1, Mt hp cht c cng thc phn t l C3H5ON (X) v ph IR (hnh 1). Hy tm cng thc cu
to ca X, bit X khng c phn ng vi thuc th Tolen.

2, Mt hp cht c cng thc phn t l C8H8O (X) v ph IR (hnh 1). Hy cho bit cng thc
cu to ca X. (tn hiu 3013 cm-1 l ca C-H bo ha)

Hnh 1
3, Dao ng chun l g? Tnh dao ng chun ca cc phn t HCHO, C2H2, CO2
4, Mt hp cht c cng thc phn t l C7H8O (X) v ph IR (hnh 1). Hy cho bit cng thc
cu to ca X.

5, Mt hp cht c cng thc phn t l C7H8O (X) v ph IR (hnh 1). Hy cho bit cng thc
cu to ca X.

6, Mt hp cht c cng thc phn t l C6H6O (X) v ph IR (hnh 1). Hy cho bit cng thc
cu to ca X.

7, Mt hp cht c cng thc phn t l C8H8O (X) v ph IR (hnh 1). Hy cho bit cng thc
cu to ca X. (tn hiu 3013 cm-1 l ca C-H bo ha)

Hnh 1

8, Dao ng chun l g? Tnh s dao ng ca cc phn t: CH4, C2H2, NH3

Bi tp UV
1, Tnh max cho cc phn t sau:
CH
CH3 9 19

CH3

CH
CH3 8 17

CH
CH3 9 19

CH3

CH3

CH3

CH3

CH3COO

CH3COO

HO

CH3COO

CH3
CH3
O
O

C8H17

C8H17

CH3

CH3

2. Mt hp cht ha tan trong n-hexan c max=305 nm. Khi cng hp cht ha tan trong
etanol th c max=307 nm. Hp th ny gy nn bi bc chuyn n* hay *, gii thch.
3. Mt hp cht ha tan trong n-hexan c max=306 nm. Khi cng hp cht ha tan trong
etanol th c max=309 nm. Hp th ny gy nn bi bc chuyn n* hay *, gii thch.
4. i vi hp cht sau c bao nhiu nhm th gn vi lin kt i C=C, bao nhiu lin kt i
ngoi vng ca h lin hp. Cho bit n c cc bc chuyn di electron no?

5, Cc hp cht sau y c cc bc chuyn di electron no:

a, CH3CH3

c, CH3 C CH3

b, CH3CH2OH

d, CH2 CH CH2OH

O
Bi tp MS
1, Benzanamit (C6H5CONH2) c ph khi lng nh hnh 2, cho bit c ch phn mnh ca n.

Hnh 2
2, Phenyl metyl ete (Anisol), c ph MS nh hnh 2. Cho bit c ch phn mnh ca n.

Hnh 2
3, Hp cht Y c cng thc phn t l C7H8O. Khi bn ph Y bng chm electron (70 eV) thu
c cc mnh ph: m/z=93 (C6H5O+), 78 (C6H6+), 77 (C6H5+), v 65 (C5H5+). Cho bit cng
thc cu to ca Y v s phn mnh Y to thnh cc mnh ph trn.
4. Hp cht Y c cng thc phn t l C7H7ON. Khi bn ph Y bng chm electron (70 eV) thu
c cc mnh ph: m/z=105 (C6H5CO+), 77 (C6H5+) v 44 (CO=NH2+). Cho bit cng thc cu
to ca Y v s phn mnh Y to thnh cc mnh ph trn
Bi tp 1H-NMR
1. Tnh hng s J (Hz) ca mt tn hiu proton duplet c H=7,7135; 7,7295 ppm c o trn
my c tn s 500 MHz. Da vo dch chuyn ha hc cho bit proton trn l proton ca loi
hp cht no, hng s J c trng cho tng tc spin g.
2, Mt hp cht c cng thc phn t l C8H10 (X), c ph 1H-NMR (hnh 2). Cho bit cng thc
cu to ca X.

3. Khi o 1H-NMR ca 1,2,4-triclo benzen, ngi ta nhn c 3 tn hiu ca 3 proton cn li

trn nhn thm nh sau: Ha=6,42 ppm, dd, J=8,0; 2,18 Hz; Hb=6,67 ppm, d, J=8,0 Hz v
Hc=6,56 ppm, d, J=2,18 Hz. Hy in v tr cc proton a,b,c ny vo phn t 1,2,4-triclo benzen.
Cho bit ngha ca hng s J.
4. Trnh by nguyn nhn xut hin tng tc spin-spin. Vai tr ca hng s J.
5. Mt hp cht X c cng thc phn t l C9H10O2, c ph 1H-NMR (hnh 2). Cho bit cng
thc cu to ca X.

(Hnh 2)
6. Tnh hng s J (Hz) ca mt tn hiu proton duplet c H=7,7135; 7,7295 ppm c o trn
my c tn s 500 MHz. Da vo dch chuyn ha hc cho bit proton trn l proton ca loi
hp cht no, hng s J c trng cho tng tc spin g. Cho bit ngha ca hng s J
7, Trnh by c trng v ngha ca cc phng php ph HSQC v HMBC.
Ph X-ray
1. Cho bit cc thng tin thu c khi nghin cu vt liu bng phng php nhiu x tia X.
2. Cho bit ng dng ca phng php nhiu x tia X trong nghin cu kch thc ht ca vt
liu.
3. Trnh by ngn gn s hiu bit v qu trnh pht sinh tia X, cho bit tn cc ng dng trong
nghin cu vt liu bng nhiu x tia X.

Gii ph tng hp
1. Xc nh cu to ca hp cht c cng thc phn t C12H16O2, ph IR cho cc nh hp th
3000, 2950, 2850, 1666, 1600, 1500, 1260, 840 cm-1, ph 1H-NMR cho =1,4 (s); 3,8 (s); 6,9 (d)
v 7,8 (d) ppm, ph khi lng cho ion phn t M=192 dvC (hnh di).

2. Xc nh cu to ca hp cht c cng thc phn t C8H10BrN, ph IR cho cc nh

hp th 3000, 2950, 2800, 1600, 1500, 800 cm-1, ph UV cho max=310 v 261 (MeOH);
max=262, 257 v 222 nm (MeOH/HCl), ph 1H-NMR cho =2,9 (s); 6,6 (d) v 7,3 (d) ppm, ph
khi lng cho ion phn t M/M+2=199/201 (t l 1:1) (hnh di).

3. Xc nh cu to ca hp cht c cng thc phn t C7H5NO3, ph IR cho cc nh

hp th 3050, 2950, 2830, 1705, 1600, 1530, 1330, 1200, 860, 810, 760, 700 cm-1, ph UV cho
max=270 nm, ph 1H-NMR cho =8,19 (d); 8,5 (d) v 10,5 ppm, ph khi lng cho ion phn t
M=151, ph 13C-NMR cho = 125 (d); 132 (d); 140 (s); 152 (s); 192 (d) ppm (hnh di).

4. Xc nh cu to ca hp cht c cng thc phn t C3H7NO2, ph IR cho cc nh hp th

2950, 1580, 1480, 1400, 1350, 1210 cm-1, ph UV cho hp th 270 nm, ph 1H-NMR cho = 1,0
(t); 2,1 (m); v 4,4 (t) ppm, ph 13C-NMR cho = 10; 20 ppm, ph khi lng cho ion phn t
M=89 .

5. Xc nh cu to ca hp cht c cng thc phn t C11H15Cl, ph IR cho cc nh hp th

3050, 2950, 2850, 1600, 1500, 1450, 1300, 860, 700 cm-1, ph 1H-NMR cho = 1,0 (t); 1,4 (m);
1,6 (m); 2,5 (t); 4,5 (s); 7,1 (d) v 7,3 (d) ppm, ph 13C-NMR cho =14; 22; 34; 35; 43, 130 (hai
nh); 134 v 142 ppm, ph khi cho ion phn t M/M+2=182/184 (t l 3/1).

6. Xc nh cng thc cu to ca hp cht c cng thc cng C8H14O4, ph hng ngoi cho
nh hp th mnh 1743, 1200 cm-1, ph 1H-NMR cho =1,2 (t); 2,4 (q); 4,4 (s) ppm, ph 13CNMR cho = 10; 30; 52 v 174 ppm, ph khi lng cho ion phn t M=174, ph UV khng
hp th trong vng ln hn 220 nm