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Table 1 Assignment of main infrared peaks (cm−1) of standard materials and compounds

From: A study of the deterioration of aged parchment marked with laboratory iron gall inks using FTIR-ATR spectroscopy and micro hot table

Absorption maximum (cm−1)

Assignment*

Collagenous materials

 Collagen

Parchment

 

3315 s, br

3302

Amide A: first component of vN–H in Fermi resonance with the amide II overtone (overlapping with v as O–H (3447 br) and v s O–H (3240 br) of structural H2O)

3072, m–w, br

3072

Amide B: (second component of vN–H in Fermi resonance with the amide II overtone)

2958

2926

vC–H

1640 s

1644

Amide I: vC=O with small contributions from vC–N and δN–H)* [overlapping with δH–O–H (approx. 1610) of structural H2O]***

1545 s

1538

Amide II: (vC–N with contributions from δ ip N–H)**

1454 m–w

1448

δCH2 of Pro-

1405 w

1408

δ ip C–O–H (carboxylic side chains) and δNH2

1340 w

1334

wCH2/δC–H (methine)

1241 m–w

1230

Amide III: (vC–N + δN–H with contributions from vC–C and δipC=O)**

1082, 1032

1084, 1031

Breathing of proline ring [69] with carbohydrate vC–O and vC–O–C (glycosylation sites) [70]/parchment: additional esters [66]

Gallic acid [40, 73, 74]

 3498

vO9H, vO11H

 3366

vO10H

 3284

vO14H (COOH)

 3065, 2996, 2844

vC2–H, vC6–H

 2673, 2632, 2575, 2512

vO14H (–COOH dimers)

 1703

vC=O

 1668, 1648

vC=O (–COOH dimers)

 1612,1542,1484, 1468, 1427, 1387, 1321

vC=C (aromatic ring vibrations)

 1268

vC–O

 1221

δ(i–p) C–O–H

 1184

vC1–C7 + vC–H

 1099

vC1–C7 + δC–O–H

 1028

Aromatic asym-, sym- breathing, vC1–C7 + vC–OΗ (phenol)

 904

vC–O +δ(o–o–p) C–O–Η (dimer band) + δ(o–o–p) of ring

 867

δ(i–p) C–H

 767

δ(o–o–p) C–H (out-of-phase)

 735

δ(o–o–p) C–H (out-of-phase) + τC–OΗ (torsion)

 703

Aromatic ring puckering

 636

Aromatic ring puckering + δ(o–o–p) C–Ο–H (phenolic)

 559

δ(o–o–p) C–Ο–H (phenolic)

 492

τC—aromatic ring

Gum Arabic

 3352

vOH

 2932

vC–H

 1604

v as COO

 1418

v s COO

 1146(sh), 1068, 1035(sh)

vC–O

Iron (II) sulfate heptahydrate

 3336

vOH

 1652

δOH in water

 1092

v 1 SO4 2−

 977

v 3 SO4 2−

 619

v 4 (asym-) SO4 2−

LIG ink formulation

 3415

vOH in water

 1645

δOH in water

 1094

v 1 SO4 2−

 977

v 3 SO4 2−

 628

v 4 (asym-) SO4 2−

LIGG ink formulation

 3439

vH–O in polysaccharide (gum Arabic) and water

 2931

vC–H

 1640

δOH in water overlapping with v asCOO in polysaccharide (gum Arabic)

 1424

v s COO in gum Arabic

 1083

v 1 SO4 2− overlapping with vC–O in gum Arabic

 1146(sh), 1035(sh)

vC-O in gum Arabic

 604

v 4 (asym-) SO4 2−

  1. v stretching; δ bending; d deformation; ip in-plane; sh shoulder
  2. ** According to Refs [24, 41]
  3. *** According to Ref [24]