IR Spectra for Carbohydrates

Table: IR Spectra of Sucrose, Glucose, and Fructose.

Material Wavenumber (cm⁻¹) Assignment Annotations Ref
Aqueous Sucrose 1055 νC-O R1
Aqueous Sucrose 1113 νC-O endo gluc R1
Aqueous Sucrose 1136 νCO endo fruc R1
Aqueous Sucrose 1247 ωCH₂ R1
Aqueous Sucrose 1265 δCH₂ R1
Aqueous Sucrose 1336 δC-O-H fruc R1
Aqueous Sucrose 1366 δC-O-H gluc R1
Aqueous Sucrose 1430 δC-O-H R1
Aqueous Sucrose 1451 None R1
Aqueous Sucrose 1640 ν₂ H₂O R1
Aqueous Sucrose 828 δC₃-C₂-H fruc R1
Aqueous Sucrose 835 δC₂-C₁-H gluc R1
Aqueous Sucrose 870 νC-C R1
Aqueous Sucrose 925 νC-C fruc R1
Aqueous Sucrose 945 νC-C gluc R1
Aqueous Sucrose 993 νC-O exo R1
Fructose (H₂O) -2505 comb. R3
Fructose (H₂O) 1010 δC-O-H sh R3
Fructose (H₂O) 1028 None sh R3
Fructose (H₂O) 1053 νC-O s R3
Fructose (H₂O) 1080 None m R3
Fructose (H₂O) 1102 νC-O endo gluc m R3
Fructose (H₂O) 1152 None R3
Fructose (H₂O) 1185 None R3
Fructose (H₂O) 1236 ωCH₂ R3
Fructose (H₂O) 1262 δCH₂ R3
Fructose (H₂O) 1294 None R3
Fructose (H₂O) 1342 δC-O-H fruc R3
Fructose (H₂O) 1374 δC-O-H gluc R3
Fructose (H₂O) 1407 None R3
Fructose (H₂O) 1457 None R3
Fructose (H₂O) 1648 ν₂ H₂O R3
Fructose (H₂O) 2122 ν₂ H₂O + νLH₂O R3
Fructose (H₂O) 2884 νCH₂ s R3
Fructose (H₂O) 2940 νCH₂ as R3
Fructose (H₂O) 2981 νCH₃ as R3
Fructose (H₂O) 3236 ν₁ H₂O + νOH R3
Fructose (H₂O) 3369 ν₃ H₂O + νOH R3
Fructose (H₂O) 778 None m R3
Fructose (H₂O) 797 None R3
Fructose (H₂O) 817 δC₃-C₂-H fruc m R3
Fructose (H₂O) 839 δC₂-C₁-H gluc R3
Fructose (H₂O) 866 νC-C m d
Fructose (H₂O) 895 νC-C fruc R3
Fructose (H₂O) 918 None R3
Fructose (H₂O) 936 νC-C gluc R3
Fructose (H₂O) 963 None m R3
Fructose (H₂O) 978 None m R3
Fructose (H₂O) ~1425 δC-O-H R3
Fructose (H₂O) ~3510 None R3
Fructose (H₂O) ~740 None R3
Fructose (H₂O) ~994 νC-O exo R3
Fructose (H₂O)₅ 1014 δC-O-H sh R3
Fructose (H₂O)₅ 1033 None sh R3
Fructose (H₂O)₅ 1062 νC-O s R3
Fructose (H₂O)₅ 1084 None m R3
Fructose (H₂O)₅ 1104 νC-O endo gluc m R3
Fructose (H₂O)₅ 1158 None R3
Fructose (H₂O)₅ 1187 None R3
Fructose (H₂O)₅ 1218 None R3
Fructose (H₂O)₅ 1243 ωCH₂ R3
Fructose (H₂O)₅ 1264 δCH₂ R3
Fructose (H₂O)₅ 1299 None R3
Fructose (H₂O)₅ 1318 None R3
Fructose (H₂O)₅ 1344 δC-O-H fruc R3
Fructose (H₂O)₅ 1375 δC-O-H gluc R3
Fructose (H₂O)₅ 1410 None R3
Fructose (H₂O)₅ 1429 δC-O-H R3
Fructose (H₂O)₅ 1458 None R3
Fructose (H₂O)₅ 1645 ν₂ H₂O R3
Fructose (H₂O)₅ 2125 ν₂ H₂O + νLH₂O R3
Fructose (H₂O)₅ 2887 νCH₂ s R3
Fructose (H₂O)₅ 2946 νCH₂ as R3
Fructose (H₂O)₅ 2986 νCH₃ as R3
Fructose (H₂O)₅ 3225 ν₁ H₂O + νOH R3
Fructose (H₂O)₅ 3385 ν₃ H₂O + νOH R3
Fructose (H₂O)₅ 3520 None R3
Fructose (H₂O)₅ 820 δC₃-C₂-H fruc m R3
Fructose (H₂O)₅ 838 δC₂-C₁-H gluc R3
Fructose (H₂O)₅ 868 νC-C m d
Fructose (H₂O)₅ 919 None R3
Fructose (H₂O)₅ 936 νC-C gluc R3
Fructose (H₂O)₅ 966 None m R3
Fructose (H₂O)₅ 980 None m R3
Fructose (H₂O)₅ 993 νC-O exo R3
Fructose (H₂O)₅ ~2855 comb. R3
Fructose (H₂O)₅ ~5180 None R3
Fructose (H₂O)₅ ~891 νC-C fruc R3
Glucose (H₂O)₂ 1008 δC-O-H sh R3
Glucose (H₂O)₂ 1027 None m R3
Glucose (H₂O)₂ 1053 νC-O sh R3
Glucose (H₂O)₂ 1076 None m R3
Glucose (H₂O)₂ 1102 νC-O endo gluc R3
Glucose (H₂O)₂ 1151 None R3
Glucose (H₂O)₂ 1199 None R3
Glucose (H₂O)₂ 1226 ωCH₂ R3
Glucose (H₂O)₂ 1260 δCH₂ R3
Glucose (H₂O)₂ 1284 None R3
Glucose (H₂O)₂ 1315 None R3
Glucose (H₂O)₂ 1335 δC-O-H fruc R3
Glucose (H₂O)₂ 1362 δC-O-H gluc R3
Glucose (H₂O)₂ 1420 δC-O-H R3
Glucose (H₂O)₂ 1462 None R3
Glucose (H₂O)₂ 1642 ν₂ H₂O R3
Glucose (H₂O)₂ 2130 ν₂ H₂O + νLH₂O R3
Glucose (H₂O)₂ 2860 comb. R3
Glucose (H₂O)₂ 2885 νCH₂ s R3
Glucose (H₂O)₂ 2930 νCH₂ as R3
Glucose (H₂O)₂ 3225 ν₁ H₂O + νOH d R3
Glucose (H₂O)₂ 3380 ν₃ H₂O + νOH R3
Glucose (H₂O)₂ 3505 None R3
Glucose (H₂O)₂ 769 None R3
Glucose (H₂O)₂ 841 δC₂-C₁-H gluc R3
Glucose (H₂O)₂ 863 νC-C R3
Glucose (H₂O)₂ 895 νC-C fruc R3
Glucose (H₂O)₂ 919 None R3
Glucose (H₂O)₂ 988 νC-O exo R3
Glucose (H₂O)₅ 1013 δC-O-H R3
Glucose (H₂O)₅ 1034 None s R3
Glucose (H₂O)₅ 1058 νC-O R3
Glucose (H₂O)₅ 1081 None s R3
Glucose (H₂O)₅ 1106 νC-O endo gluc sh R3
Glucose (H₂O)₅ 1132 νCO endo fruc sh R3
Glucose (H₂O)₅ 1158 None R3
Glucose (H₂O)₅ 1201 None R3
Glucose (H₂O)₅ 1230 ωCH₂ R3
Glucose (H₂O)₅ 1263 δCH₂ R3
Glucose (H₂O)₅ 1288 None R3
Glucose (H₂O)₅ 1316 None R3
Glucose (H₂O)₅ 1368 δC-O-H gluc R3
Glucose (H₂O)₅ 1435 δC-O-H w R3
Glucose (H₂O)₅ 1640 ν₂ H₂O R3
Glucose (H₂O)₅ 2870 νCH₂ s R3
Glucose (H₂O)₅ 2925 νCH₂ as R3
Glucose (H₂O)₅ 3212 ν₁ H₂O + νOH R3
Glucose (H₂O)₅ 3385 ν₃ H₂O + νOH R3
Glucose (H₂O)₅ 3530 None R3
Glucose (H₂O)₅ 837 δC₂-C₁-H gluc R3
Glucose (H₂O)₅ 863 νC-C R3
Glucose (H₂O)₅ 895 νC-C fruc R3
Glucose (H₂O)₅ 936 νC-C gluc R3
Glucose (H₂O)₅ 991.5 νC-O exo R3
Glucose (H₂O)₅ ~2120 ν₂ H₂O + νLH₂O R3
Glucose (H₂O)₅ ~3612 None R3
Glucose (H₂O)₅ ~5187 None R3
Solid Sucrose 1008 δC-O-H R1
Solid Sucrose 1052 νC-O R1
Solid Sucrose 1069 None R1
Solid Sucrose 1106 νC-O endo gluc R1
Solid Sucrose 1130 νCO endo fruc R1
Solid Sucrose 1162 None R1
Solid Sucrose 1239 ωCH₂ R1
Solid Sucrose 1280 None R1
Solid Sucrose 1323 None R1
Solid Sucrose 1346 δC-O-H fruc R1
Solid Sucrose 1370 δC-O-H gluc R1
Solid Sucrose 1410 None R1
Solid Sucrose 1431 δC-O-H R1
Solid Sucrose 1461 None R1
Solid Sucrose 849 None R1
Solid Sucrose 867 νC-C R1
Solid Sucrose 911 νC-C fruc R1
Solid Sucrose 941 νC-C gluc R1
Solid Sucrose 990 νC-O exo R1
Sucrose (H₂O)₂ 1045 νC-O vs R2
Sucrose (H₂O)₂ 1110 νC-O endo gluc R2
Sucrose (H₂O)₂ 1132 νCO endo fruc R2
Sucrose (H₂O)₂ 1210 None R2
Sucrose (H₂O)₂ 1270 δCH₂ R2
Sucrose (H₂O)₂ 1331 δC-O-H fruc R2
Sucrose (H₂O)₂ 1370 δC-O-H gluc R2
Sucrose (H₂O)₂ 1420 δC-O-H R2
Sucrose (H₂O)₂ 1452 None R2
Sucrose (H₂O)₂ 1648 ν₂ H₂O R2
Sucrose (H₂O)₂ 2680 comb. R2
Sucrose (H₂O)₂ 2843 comb. R2
Sucrose (H₂O)₂ 2880 νCH₂ s R2
Sucrose (H₂O)₂ 2933 νCH₂ as R2
Sucrose (H₂O)₂ 2970 νCH₃ as R2
Sucrose (H₂O)₂ 830 δC₃-C₂-H fruc R2
Sucrose (H₂O)₂ 868 νC-C R2
Sucrose (H₂O)₂ 928 νC-C fruc R2
Sucrose (H₂O)₂ 993 νC-O exo vs R2
Sucrose (H₂O)₂ ~2125 ν₂ H₂O + νLH₂O R2
Sucrose (H₂O)₂ ~2500 comb. R2
Sucrose (H₂O)₂ ~3240 ν₁ H₂O + νOH R2
Sucrose (H₂O)₂ ~3290 ν₃ H₂O + νOH R2
Sucrose (H₂O)₅ 1055 νC-O vs R2
Sucrose (H₂O)₅ 1113 νC-O endo gluc R2
Sucrose (H₂O)₅ 1135 νCO endo fruc R2
Sucrose (H₂O)₅ 1210 None R2
Sucrose (H₂O)₅ 1275 δCH₂ R2
Sucrose (H₂O)₅ 1333 δC-O-H fruc R2
Sucrose (H₂O)₅ 1370 δC-O-H gluc R2
Sucrose (H₂O)₅ 1425 δC-O-H R2
Sucrose (H₂O)₅ 1454 None R2
Sucrose (H₂O)₅ 1645 ν₂ H₂O R2
Sucrose (H₂O)₅ 2680 comb. R2
Sucrose (H₂O)₅ 2850 comb. R2
Sucrose (H₂O)₅ 2882 νCH₂ s R2
Sucrose (H₂O)₅ 2938 νCH₂ as R2
Sucrose (H₂O)₅ 2974 νCH₃ as R2
Sucrose (H₂O)₅ 868 νC-C R2
Sucrose (H₂O)₅ 929 νC-C fruc R2
Sucrose (H₂O)₅ 998 νC-O exo vs R2
Sucrose (H₂O)₅ ~2125 ν₂ H₂O + νLH₂O R2
Sucrose (H₂O)₅ ~2500 comb. R2
Sucrose (H₂O)₅ ~3240 ν₁ H₂O + νOH R2
Sucrose (H₂O)₅ ~3350 ν₃ H₂O + νOH R2

References:

R1: Kodad H., Mokhlisse R., Davin E., Mille G. Etude IRTF Par Reflexion Totale Attenuee (ATR) De Sucres en Solution Aqueuse. Can. J. Appl. Spectrosc. 1994;39:107–112.

R2: Max, J.-J., & Chapados, C. (2001). Sucrose Hydrates in Aqueous Solution by IR Spectroscopy. The Journal of Physical Chemistry A, 105(47), 10681–10688. DOI: https://doi.org/10.1021/jp012809j

R3: Max, J.-J., & Chapados, C. (2007). Glucose and Fructose Hydrates in Aqueous Solution by IR Spectroscopy. The Journal of Physical Chemistry A, 111(14), 2679–2689. DOI: https://doi.org/10.1021/jp066882r


Table 1: Comparisons between both experimental and BLYP calculated Infrared frequencies in cm-1 for both α- D-Glucose and β-D-Fructose as well as α- D-Glucose and β-D-Fructose monohydrates.

D-Glucose D-Fructose
IR α-D β-D-M Assignment IR α-D β-D-M Assignment
3410 3418 3146 ν OH 3393 3428 3513 ν OH
3393 3408 3123 ν OH 2933 2975 2957 νs CH of C2
2944 2963 3099 νs CH of C2 2899 2923 2925 νas CH of C1
2913 2939 3085 νas CH of C1 1637 1634 1665 δOH
1460 1441 1465 δCH2 + δOH + δCCH 1402 1392 1417 δOCH + δ COH + δ CCH
1382 1352 1390 δOCH + δ COH + δ CCH 1340 1330 1338 Δ CCH + δ OCH
1340 1330 1320 δ CCH + δ OCH 1265 1276 1292 δCH + δOH in plane, δ CCO
1244 1218 1278 δCH + δOH in plane 1203 1220 1232 δCH + δOH in plane
1149 1137 1205 ν CO + ν CC 1149 1148 1166 ν CO + νCC + δ CCO
1111 1116 1162 ν CO 1057 1082 1059 νCO
1050 1088 1082 ν CO + ν CC 977 990 990 νCO + δCCO
995 944 1032 ν CO + ν CC 873 856 908 δCH + νCC + δCCH
915 900 993 ν CO + ν CCH + νas ring of pyranose 818 816 884 δCCO + δCCH
837 834 909 δCH 780 784 828 δCCO + δ CCH
622 619 694 δ CCO + δ CCH CH2 648 624 658 CH2 + CH

NOMENCLATURE:

IR: Experimental frequencies
α-D: α -D-anomer
β-DM: β -D-anomer monohydrate

NOTE:

Reference: Ibrahim, M. A., Allam, M., El-Haes, H., Jalbout, A. F., & De Leon, A. (2006). Analysis of the structure and vibrational spectra of glucose and fructose. Ecletica Quimica, 31(3), 15–21. DOI: https://doi.org/10.26850/1678-4618eqj.v31.3.2006.p15-21

Table 2: FTIR Spectra of Lauric Acid, Dextran, and Dextran-g-Lauric Acid.

Peak (cm⁻¹) Functional Group Lauric Acid Unmodified Dextran Dextran (Mw 6k, 24h) Dextran (Mw 6k, 48h) Dextran (Mw 40k, 24h)
3365 –OH Stretching
2931 –CH Stretching
2851 –CH Stretching
1721 C=O Stretching
1700 C=O Stretching
1648 C=O Stretching

NOMENCLATURE:

✓: Peaks are present and identified
–: Absent
Mw: Molecular weight

NOTE:

Reference: Su, C.-M., Lin, C., Huang, C.-Y., Yeh, J.-C., Tsai, T.-Y., Ger, T. R., Wang, M.-C., & Lou, S.-L. (2017). Dextran-g-lauric acid as IKK complex inhibitor carrier. RSC Advances, 7(89), 56247–56255. DOI: https://doi.org/10.1039/c7ra04544a

Table 3: Relocation of Key Maize Starch FTIR Bands After Treatment with Aqueous Na Silicate Solutions.

Native Starch (cm⁻¹) Starch at Water/Na Silicate Ratio 80 mL/g (cm⁻¹) 70 mL/g (cm⁻¹) 60 mL/g (cm⁻¹) 50 mL/g (cm⁻¹)
524 520 520 514
578 578 578 570 558
738 700 700 700
784 765 765 750
880 880 874 854
944 941 929 900 900
1000 996, 1017 (Split) 996, 1017 (Split) 996, 1017 (Split) 1000
1090 1090 1078 1078 1052
1180 1175 1150 1150 1121
1380 1380 1376 1347
1450 1450 1429 1381
1478 1476 1460 1423 1448
1649 1644 1642 1626 1626
2948 2935 2918 2918 2824 and 2918
3430 3400 3432 3432 3430

NOMENCLATURE:

NOTE:

Reference: Rashid, I., Omari, M. H. A., Leharne, S. A., Chowdhry, B. Z., & Badwan, A. (2012). Starch gelatinization using sodium silicate: FTIR, DSC, XRPD, and NMR studies. Starch - Stärke, 64(9), 713–728. Portico. DOI: https://doi.org/10.1002/star.201100190

Table 4: FTIR Spectra of Pullulan: Characteristic Absorption Bands and Functional Group Assignments

Wavenumber (cm⁻¹) Vibration Mode Functional Group/Assignment
3400–3200 O–H stretching Hydroxyl groups (OH)
2920–2850 C–H stretching Aliphatic C–H bonds
1640–1630 O–H bending (adsorbed water) Water absorbed in the sample
1450–1400 C–H bending CH₂ and CH₃ groups
1370–1350 C–H bending CH₃ groups
1150–1100 C–O–C stretching Glycosidic linkage (C–O–C)
1070–1030 C–O stretching C–O bonds in the sugar ring
1040, 1020, 996 Glycosidic linkage vibrations Specific to pullulan structure
930–910 C–O–C stretching Glycosidic linkage (C–O–C)
850–840 C–H bending Anomeric C–H deformation

NOMENCLATURE:

NOTE:

Reference:
1. Shingel, K. I. (2002). Determination of structural peculiarities of dexran, pullulan and γ-irradiated pullulan by Fourier-transform IR spectroscopy. Carbohydrate Research, 337(16), 1445–1451. DOI: https://doi.org/10.1016/s0008-6215(02)00209-4
2. Firsov, S. P., Zhbankov, R. G., Petrov, P. T., Shingel, K. I., & Tsarenkov, V. M. (1999). Analysis of dextran and pullulan molecular fraction structure by the method of IR-spectroscopy. Spectroscopy of Biological Molecules: New Directions, 323–324. DOI: hhttps://doi.org/10.1007/978-94-011-4479-7_144

Table 5: Characteristic IR Bands of Cellulose, sodium carboxymethylcellulose (CMC), carboxymethylcellulose acetate(CMCA), and carboxymethylcellulose acetate butyrate (CMCAB)

Material Wavenumber (cm⁻¹) Assignment Relative Absorbance
Cellulose 3482.81 Strong hydrogen-bonded O-H stretching vibration 3.59
2897.52 C-H stretching 1.74
1645.95 O-H bending from absorbed water
1428.99 CH₂ bending of pyranose ring 2.12
1370.18 C-H bending 2.56
1034.62 C-O-C pyranose ring vibration 2.42
898.66 β-glycosidic linkage between glucose units in cellulose 1.08
CMC 3445.21 O-H stretching 1.31
2901.38 Stretching vibration of methine (C-H) 3.37
1599.66 C=O group
1414.53 Anti-symmetric and symmetric stretching vibration peak of COO 0.99
1369.21 C-H bending 0.99
1060.66 C-O-C stretching 1.21
CMCA 3447.13 Unsubstituted O-H group 0.68
2911.02 COOH of acetyl group and methyl –CH₃ of CMCA 1.36
1743.33, 1639.2 Asymmetric and symmetric C=O coupled stretching 1.98, 1
1379.82, 1434.38 Symmetric and asymmetric vibrations of CH₃ 1.79, 1.65
1434.38 CH₂ band 1.65
1245.79, 1037.52, 904.45 Asymmetric stretching vibrations of C-O-C in ester 2.03, 2.52, 1.02
CMCAB 3531.99 Unsubstituted O-H group 1.1
2966.95 COOH dimer group and methyl –CH₃ of CMCAB 0.43
2884.99 Methylene –CH₂ of CMCAB 0.03
1748.16, 1640.16 Asymmetric and symmetric C=O coupled stretching 2.23, 1
1375 C-CH₃ of acetyl 1.22
1240.97, 1168.65, 1064.51 Asymmetric vibrations of C-O-C to prove the existence of an ester 1.66, 1.96, 2.36

NOMENCLATURE: CMC: Sodium carboxymethylcellulose
CMCA: Carboxymethylcellulose acetate
CMCAB: Carboxymethylcellulose acetate butyrate

NOTE:

Reference:
El-Sakhawy, M.A., Kamel, S., Salama, A., & Tohamy, H.S. (2018). PREPARATION AND INFRARED STUDY OF CELLULOSE BASED AMPHIPHILIC MATERIALS. DOI: http://www.cellulosechemtechnol.ro/pdf/CCT3-4(2018)/p.193-200.pdf