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

n 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. Gi s ta c 1 cng thc l CnHmXi - Nu X l Halogens th coi n l H => CnHm+i - Nu X l O, S th b => CnHm - Nu X l N th tr i H tng ng => CnHm-i DU= n - m/2 + 1 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 ti vng s sng ln hn 1500cm-1 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 xc nh cc lin kt trong phn t 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, ... xem ph hp vi cng thc tng qut cha. Kim tra ha tr cc nguyn t xem ph hp cha Nu cha ng, vit cu trc phn t khc v kim tra li

Tn s dao ng c trng ca ph IR

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

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

Carbonyl Stretching ketones, aldehydes, and carboxylic acids absorb around 1710 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 - Nu l carboxylic acids th v c nhm OH nn n s c peak ging ru ~3300cm-1

cm -1 cm -1

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

Tham kho Bng tn s dao ng c trng trong ph IR

Mt s c trng 1H-NMR Ph 1H-NMR l mt k thut s dng xc nh cu trc ha hc ca hp cht hu c. Ph proton cho ta bit c s loi proton c trong phn t . Mi loi proton s c tnh cht khc nhau v th s c dch chuyn khc nhau trn ph proton. Ngi ta s dng TMS ( tetra methyl silan ) lm cht chun trong ph proton v dch chuyn ha hc ca proton trong TMS c chn l 0 pmm

S tng tc ca cc proton (H) xung quanh s gy ra s tch vch theo quy tc (n+1): 1.singlet 2.doublet 3.triplet 4.quartet 5.pentet 6.sextet 7.septet 8.octet... dch chuyn ha hc (chemical shift) ca Hydrogen ph NMR 0,9ppm: RCH3 1 aliphatic 1,3ppm: R2CH2 2 aliphatic 1,5ppm: R3CH 3 aliphatic

2 - 2,7 ppm: nhm ti v tr ny lin kt vi nhm carbonyl

3,7 - 4,1 ppm: nhm ti v tr ny lin kt vi nhm oxygen

9 - 10 ppm: nhm aldehyde

6,5 - 8,5 ppm: Aromatic 2,2 - 3 ppm: H ca nhm gn vo Aromatic

10 - 13,2 ppm: acid

0,5 - 3 ppm: amin aliphatic 3 - 5 ppm: amin Aromatic

4 - 4,4ppm: H ca nhn gn vi NO2

4 - 12ppm: H ca ru

Alkyl Halides

Tham kho BNG c trng chuyn dch ha hc ca H trn ph NMR

Ph 13c-nmr Nu nh ph 1H-NMR cho cc tn hiu ca cc loi H th 13C-NMR cho cc tn hiu ca cc loi C v th vi cc cht hu c kt hp 2 ph ny c th xc nh c cu trc ca hu ht cc cht. Bng tm tt dch chuyn ha hc trong ph 13C-NMR

Tng quan so snh gia 1H-NMR vi 13C-NMR

Vit nh trn kh kh hiu nn tip di y s i vo 1 s bi tp c th. Tt nhin y ch l nhng bi tp kh n gin, coi nh lm quen vi Gii ph cn i su vo th ng vit bi ny cng cm thy kh khn v cha kinh nghim l gii... thanks to Smallrose