Table 1.
Vibrational modes and band assignments measured in lignocellulosic biomass.
| Vibrational mode cm−1 | Biomass constituent | Assignment |
|---|---|---|
| 311 | Cellulose | CCO torsion (Schenzel and Fischer, 2001) |
| 329 | Cellulose | CCC, CO, CCO, ring deformation (Schenzel and Fischer, 2001) |
| 331 | Cellulose | Heavy atom bending (Wiley and Atalla, 1987) |
| 337 | Lignin | Ring deformation, OH torsion (Larsen and Barsberg, 2010) |
| 344 | Cellulose | Heavy atom stretching (Wiley and Atalla, 1987), CCC, CO, CCO, ring deformation (Schenzel and Fischer, 2001) |
| 352 | Cellulose | CCC, CO, CCO, ring deformation; cellulose II (Schenzel and Fischer, 2001) |
| 357 | Lignin | Aromatic ring substituents torsion (Larsen and Barsberg, 2010) |
| 369 | Lignin | Skeletal deformation (Agarwal and Atalla, 2010); COC symmetric, in-plane bend (Larsen and Barsberg, 2010) |
| 373 | Cellulose | CCC, CO, CCO, ring deformation; cellulose II (Schenzel and Fischer, 2001) |
| 380 | Cellulose | Heavy atom stretching (Wiley and Atalla, 1987), CCC, CO, CCO, ring deformation (Schenzel and Fischer, 2001) |
| 418 | Cellulose | CCC, CCO, ring deformation; cellulose II (Schenzel and Fischer, 2001) |
| 437 | Cellulose | Heavy atom stretching (Wiley and Atalla, 1987), CCC, CCO, ring deformation (Schenzel and Fischer, 2001) |
| 458 | Cellulose | Heavy atom stretching (Wiley and Atalla, 1987); CCC, CCO, ring deformation (Schenzel and Fischer, 2001) |
| 468 | Lignin | Ring deformation (Larsen and Barsberg, 2010) |
| 503 | NCSPs | CCO (Kacurikova et al., 1998) |
| 519 | Cellulose | Heavy atom stretching (Wiley and Atalla, 1987) |
| 521 | NCSPs | CCO (Kacurikova et al., 1998) |
| 531 | Lignin | Skeletal deformation (Agarwal and Atalla, 2010) |
| NCSPs | CCO (Kacurikova et al., 1998) | |
| 553 | NCSPs | CCO (Kacurikova et al., 1998) |
| 559 | Lignin | CCO and CCC in-plane bend (Larsen and Barsberg, 2010) |
| 582 | Lignin | Ring deformation (Larsen and Barsberg, 2010) |
| 597 | Lignin | Skeletal deformation (Agarwal and Atalla, 2010) |
| 609 | Cellulose | CCH torsion (Schenzel and Fischer, 2001) |
| 637–644 | Lignin | Ring and skeletal deformation (Agarwal, 1999; Larsen and Barsberg, 2010) |
| 645 | β-Pinene | Ring deformation (Schulz and Baranska, 2007) |
| 652 | 1,8-Cineol (eucalyptol) | Ring deformation (Schulz and Baranska, 2007) |
| 666 | α-Pinene | Ring deformation (Schulz and Baranska, 2007) |
| 712 | Lignin | Ring deformation; CC stretch (Larsen and Barsberg, 2010) |
| 780 | Lignin | CO stretch (Larsen and Barsberg, 2010); lignin aromatic skeletal vibrations (Agarwal, 1999; Larsen and Barsberg, 2010) |
| 793 | Lignin | Out-of-plane CH bend; ring deformation; CO stretch (Larsen and Barsberg, 2010) |
| 799 | Lignin | Ring deformation; CO stretch (Larsen and Barsberg, 2010) |
| 805 | Lignin | CO stretch; aryl symmetric CH bend; CH out-of-plane bend (Larsen and Barsberg, 2010) |
| 829 | Lignin | CH out-of-plane bend (Larsen and Barsberg, 2010) |
| 843 | Lignin | Breathing mode (Larsen and Barsberg, 2010) |
| 854 | Pectin | (C–O–C) Skeletal mode of α-anomers (Schulz and Baranska, 2007) |
| 885 | Cellobiose | (C–O–C) Skeletal mode (Schulz and Baranska, 2007) |
| 897 | Cellulose, NCSPs | CH, ring (Kacurikova et al., 1998), C1–H (Schenzel and Fischer, 2001) |
| 904 | Cellulose, NCSPs | CH, ring (Kacurikova et al., 1998; Schenzel and Fischer, 2001) |
| 910 | Cellulose | HCC and HCO bending (Wiley and Atalla, 1987) |
| 920–932 | Lignin | CCH wag (Agarwal, 1999) |
| 921 | Lignin | Ring deformation; in-plane CC stretch; COC stretch (Larsen and Barsberg, 2010) |
| 942 | Lignin | Lignin CCH wag; aromatic skeletal vibrations (Larsen and Barsberg, 2010; Agarwal et al., 2011) |
| 969 | Cellulose | CC and CO stretching (Wiley and Atalla, 1987), CH2 (Schenzel and Fischer, 2001) |
| 977 | Lignin | Lignin CCH and –HC = CH– deformation; methyl wagging (Larsen and Barsberg, 2010; Agarwal et al., 2011) |
| Cellulose | CO (Kacurikova et al., 1998) | |
| 995 | Cellulose | CC and CO stretching (Wiley and Atalla, 1987) |
| 997 | Cellulose | CH2 (Schenzel and Fischer, 2001) |
| 1000–1010 | Cellulose, NCSPs | CC and COH (Kacurikova et al., 1998) |
| 1026 | NCSPs | CC and COH (Kacurikova et al., 1998) |
| 1033 | Lignin | Lignin CH3 wagging; CH3 out-of-plane rock; aromatic skeletal vibrations, methoxy vibrations (Larsen and Barsberg, 2010; Agarwal et al., 2011) |
| 1037 | Cellulose | CC and CO stretching (Wiley and Atalla, 1987) |
| 1043 | Lignin | OC stretch; ring deformation; CH3 wagging (Larsen and Barsberg, 2010) |
| 1057 | Cellulose | CC and CO stretching (Wiley and Atalla, 1987) |
| 1089 | NCSPs | COC, C–C, ring vibration (Kacurikova et al., 1998) |
| 1095 | Cellulose | CC and CO stretching (Wiley and Atalla, 1987), COC, glycosidic; ring breathing, symmetric (Schenzel and Fischer, 2001) |
| 1101 | NCSPs | COC, C–C, ring vibration (Kacurikova et al., 1998) |
| 1106 | NCSPs | COC, C–C, ring vibration (Kacurikova et al., 1998) |
| 1115 | Cellulose | COC, glycosidic; ring breathing, symmetric; cellulose II (Schenzel and Fischer, 2001) |
| 1117 | Lignin | Lignin methoxy vibrations; aryl CH bend (Larsen and Barsberg, 2010) |
| Cellulose | CC and CO stretching (Wiley and Atalla, 1987) | |
| 1121 | Cellulose | CC and CO stretching (Wiley and Atalla, 1987), COC, glycosidic; ring breathing, symmetric (Schenzel and Fischer, 2001) |
| 1125 | Cellulose, NCSPs | COC and C–C (Kacurikova et al., 1998) |
| 1130–1136 | Lignin | Coniferaldehyde/sinapaldehyde mode (Agarwal and Atalla, 2010) |
| 1142 | Cellulose | CC, CO ring breathing, asymmetric; cellulose II (Schenzel and Fischer, 2001) |
| 1147 | Lignin | Lignin methoxy vibrations; aromatic CCH bend (Larsen and Barsberg, 2010) |
| 1151 | Cellulose | Stretching and HCC and HCO bending (Wiley and Atalla, 1987), CC, CO ring breathing, asymmetric (Schenzel and Fischer, 2001) |
| 1155 | Carotenoids | C–C stretch (Schulz and Baranska, 2007) |
| 1169 | Lignin | Lignin hydroxyl COH bend; aromatic skeletal vibrations (Larsen and Barsberg, 2010) |
| 1185 | Lignin | Lignin methoxy vibrations; COH in-plane bend (Larsen and Barsberg, 2010) |
| 1199 | Lignin | In-plane CH stretch (Larsen and Barsberg, 2010) |
| 1202 | Lignin | Lignin methoxy vibrations (Larsen and Barsberg, 2010) |
| Cellulose | CH2, HCC, HOC, COH (Schenzel and Fischer, 2001) | |
| 1214–1217 | Lignin | Aryl-O of aryl OH and aryl-OCH3; ring deformation (Agarwal, 1999; Larsen and Barsberg, 2010) |
| 1256 | Lignin | CO stretch (Larsen and Barsberg, 2010) |
| 1262 | Cellulose | CH2, HCC, HOC, COH (Schenzel and Fischer, 2001) |
| 1268 | Lignin | Lignin aromatic skeletal vibrations; methoxy vibrations (Agarwal, 1999; Agarwal et al., 2011) |
| 1272 | Lignin | Ring deformation; CO stretch (Larsen and Barsberg, 2010) |
| 1275 | Cellulose | HCC and HCO bending (Wiley and Atalla, 1987) |
| 1288 | Lignin | Ring deformation and in-plane CH and COH bend (Larsen and Barsberg, 2010) |
| 1291 | Cellulose | HCC and HCO bending (Wiley and Atalla, 1987), CH2, HCC, HCO, COH (Schenzel and Fischer, 2001) |
| 1298 | Lignin | CH, CC stretch; ring deformation (Larsen and Barsberg, 2010) |
| 1312 | NCSPs | CH, COH (Kacurikova et al., 1998) |
| 1331 | Lignin | Aliphatic OH stretch (Agarwal and Atalla, 2010) |
| Cellulose | HCC and HCO bending (Wiley and Atalla, 1987) | |
| 1337 | Cellulose | HCC, HCO, and HOC bending (Wiley and Atalla, 1987), CH2, HCC, HCO, COH (Schenzel and Fischer, 2001) |
| 1365 | NCSPs | CH, OH stretch (Kacurikova et al., 1998) |
| 1373 | NCSPs | CH2, HCC, HCO, COH; cellulose II (Schenzel and Fischer, 2001) |
| 1372–1383 | Lignin | Phenolic OH stretch |
| 1376 | NCSPs | CH, OH stretch (Kacurikova et al., 1998) |
| 1378 | Cellulose | HCC, HCO, and HOC bending (Wiley and Atalla, 1987; Schenzel and Fischer, 2001), CH2 (Schenzel and Fischer, 2001) |
| 1378–1390 | Lignin | Phenolic OH (Agarwal, 1999) |
| 1380 | Lignin | Umbrella CH bend (Larsen and Barsberg, 2010) |
| 1407 | Cellulose | HCC, HCO, and HOC bending (Wiley and Atalla, 1987; Schenzel and Fischer, 2001), CH2 (Schenzel and Fischer, 2001) |
| 1427 | Lignin | Lignin methoxy deformation, methyl bending, aromatic skeletal vibrations (Agarwal, 1999; Agarwal et al., 2011) |
| 1455 | Lignin | CH3 scissoring; CH3 out-of-plane bend; umbrella bend (Larsen and Barsberg, 2010) |
| 1456 | Cellulose | HCH and HOC bending (Wiley and Atalla, 1987; Schenzel and Fischer, 2001), CH2 scissoring (Schenzel and Fischer, 2001) |
| 1460 | Lignin | Lignin methoxy deformation, CH2 scissoring (Agarwal and Atalla, 2010) |
| 1461 | Cellulose | CH2 scissoring (Schenzel and Fischer, 2001) |
| 1465 | Lignin | CH3 scissoring; CH3 out-of-phase bend (Larsen and Barsberg, 2010) |
| 1475 | Cellulose | HCH and HOC bending (Wiley and Atalla, 1987), CH2 scissoring (Schenzel and Fischer, 2001) |
| 1506–1514 | Lignin | Aryl ring stretch, asymmetric (Agarwal, 1999) |
| 1517–1521 | Lignin | Asymmetric aryl ring stretch (Agarwal, 1999) |
| 1528 | Carotenoids | C = C stretch (Schulz and Baranska, 2007) |
| 1605 | Lignin | Lignin aromatic skeletal vibrations (Agarwal, 1999; Larsen and Barsberg, 2010) |
| 1632 | Lignin | Lignin C = C stretch of coniferaldehyde, sinapaldehyde, phenolic esters (Agarwal, 1999; Agarwal et al., 2011) |
| 1643 | α-Pinene | C = C stretch (Schulz and Baranska, 2007) |
| 1656 | Lignin | Lignin C = C stretch of coniferyl alcohol and sinapyl alcohol (Agarwal, 1999; Agarwal et al., 2011) |
| 1659 | β-Pinene | C = C stretch (Schulz and Baranska, 2007) |
| 1704 | Lignin | Carbonyl stretch |
| 1739 | NCSPs | C = O stretch (Schulz and Baranska, 2007) |
| 1745 | Pectin | C = O stretch (Schulz and Baranska, 2007) |
| 2842 | Lignin | Out-of-plane CH symmetric stretch (Larsen and Barsberg, 2010) |
| 2845 | Lignin | CH stretch in OCH3, symmetric (Agarwal and Atalla, 2010) |
| 2853 | Cellulose | CH2 symmetric stretch (Liang and Marchessault, 1959) |
| 2859 | Lignin | Out-of-plane symmetric CH stretch (Larsen and Barsberg, 2010) |
| 2866 | Cellulose | CH and CH2 stretching (Wiley and Atalla, 1987) |
| 2867 | Lignin | Out-of-plane symmetric CH stretch (Larsen and Barsberg, 2010) |
| 2889 | Cellulose | CH and CH2 stretching (Wiley and Atalla, 1987) |
| 2917 | NCSPs | CH stretch (Kacurikova et al., 1998) |
| 2922 | Lignin | Out-of-plane asymmetric CH stretch (Larsen and Barsberg, 2010) |
| 2933 | NCSPs | CH stretch (Kacurikova et al., 1998) |
| 2939 | Lignin | CH stretch in OCH3, asymmetric (Agarwal and Atalla, 2010; Larsen and Barsberg, 2010) |
| 2943 | Cellulose | CH and CH2 stretching (Wiley and Atalla, 1987) |
| 2963 | Cellulose | CH and CH2 stretching (Wiley and Atalla, 1987) |
| 3005 | Lignin | In-plane CH stretch (Larsen and Barsberg, 2010) |
| 3014 | Lignin | In-plane CH stretch (Larsen and Barsberg, 2010) |
| 3039 | Lignin | In-plane CH stretch (Larsen and Barsberg, 2010) |
| 3062 | Lignin | In-plane CH stretch (Larsen and Barsberg, 2010) |
| 3071 | Lignin | Aromatic CH (Agarwal and Atalla, 2010) |
| 3286 | Cellulose | OH stretch (Wiley and Atalla, 1987) |
| 3335 | Cellulose | OH stretch (Wiley and Atalla, 1987) |
| 3363 | Cellulose | OH stretch (Wiley and Atalla, 1987) |
| 3402 | Cellulose | OH stretch (Wiley and Atalla, 1987) |
NCSPs, non-cellulosic structural polysaccharides.