Gii Ph IR - NMR

Ph hng ngoi (FT-IR) v ph cng hng t ht nhn (1H-NMR, 13C-NMR) c coi l 2 cng
c c bn nht thc hin php xc nh cu trc cc hp cht hu c.
Cc bc thc hin vic gii 1 bi tp v ph vi cng thc tng qut cho trc.

BC 1. Tnh KHNG BO HA
degree of unsaturation - DU) t trong cng thc tng qut xem trong phn t c bao nhiu vng,
bao nhiu lin kt i.
CnHmOiNl
DU =

2 n 2 l m
2

VD: C5H10O => DU= 5-10/2+1=1

C8H11N => DU=8-10/2+1 = 4
NU:
(DU = 1 c th c 1 lin kt i hoc vng
DU = 2 c th c 2 lin kt i, 2 vng, 1 lin kt ba hoc 1 lin kt i + 1 vng
DU = 3 c th c 3 lin kt i, 3 vng, 1 lin kt i + 2 vng, 2 lin kt i + 1 vng, 1 lin kt ba
+ 1 lin kt i hoc 1 lin kt ba + 1 vng
DU = 4 ngh ngay ti vng benzen
DU = 5 c th l vng benzen + 1 lin kt i hoc vng benzen + 1 vng
DU = 6 c th l vng benzen + 2 lin kt i hoc 2 vng hoc 1 lin kt ba hoc 1 lin kt i + 1
vng.

BC 2. Nhn vo ph IR
Kt hp cc d kin c t cng thc tng qut, DU v ph IR: nu
Nu c 1 lin kt i v nguyn t O c th ngh ti nhm carbonyl
Nu khng c lin kt i m li c O th c th ngh ti ether hoc ru

BC 3. S dng ph NMR
T cc nhm chc xc nh t B2, vit cu trc phn t v da vo ph NMR nh gi xem cng
thc hp l cha.

BC 4. Kim tra s O, C, H, Hal,

...Kim tra ha tr cc nguyn t xem ph hp chaNu cha ng, vit cu trc phn t khc v
kim tra li ti vng s sng ln hn 1500cm-1 xc nh cc lin kt trong phn txem ph
hp vi cng thc tng qut cha.

Tn s dao ng c trng ca ph IR

1. Carbon-Hydrogen Stretching

sp3 C-H, just below 3000 cm-1 (to the right)

sp2 C-H, just above 3000 cm-1 (to the left)

sp C-H, at 3300 cm-1

2. O-H and N-H Stretching

u c hp th ti ~3300cm-1 nhng hnh dng ph li rt khc nhau: O-H peak rng v t cn N-H th
peak rng nhng nhn

3. Carbonyl Stretching
phn bit ta ch cc c im sau
Nu l Aldehydes s c 2 peak c trng cho lin kt C-H khong 2700 v 2800 cm-1
Nu l carboxylic acids th v c nhm OH nn n s c peak ging ru ~3300cm-1
ketones, aldehydes, and carboxylic acids absorb around 1710 cm-1

4. Variations in C=O Absorption

Conjugation of C=O with C=C lowers the stretching frequency to ~1680 cm-1.
The C=O group of an amide absorbs at an even lower frequency, 1640-1680 cm-1.
The C=O of an ester absorbs at a higher frequency, ~1730-1740 cm-1.
Carbonyl groups in small rings (5 Cs or less) absorb at an even higher frequency
5. Carbon - Nitrogen Stretching
C - N absorbs around 1200 cm-1.
C = N absorbs around 1660 cm-1 and is much stronger than the C = C absorption in the same region.

absorbs strongly just above 2200 cm-1. The alkyne signal is much weaker and is just
below 2200 cm-1.

3700 2500 cm-1 Single bonds to hydrogen

1. Single Bonds to Hydrogen

19001500 cm-1 Double bonds

2. Double Bonds

2300 2000 cm-1 Triple bonds

3. Triple bonds

1400 650 cm-1 Single bonds (other than hydrogen)

4. Single Bonds (not to Hydrogen

5. Bending Vibrations