Table 2.

Standard group frequencies of aromatic molecules required for the fractional analysis of vibrational spectra of amorphous carbons.

Wavenumbers, cm−1		Group Frequencies 1
Exper	UHF Expect	sp2(C, C) 2	sp2(C-H) 2	sp2(C-H) and (C, CH2) 3	sp3(C-H) and (C, CH3) 4	(C, O) and (C, OH) 5	(C, O-C)
400–700	700–1000	404 δ op C-C-C 606 δ ip C-C-C	-	711 ρ CH2	210 r CH3 344 δ CH3	458 τ COH	605 δ C-O
700–1200	1200–1700	707 δ C-C-C puckering 993 ring breathing 1010 δ C-C-C trigonal	673 δ op in phase 846 δ op C6 libration 967 δ op 990 δ op trigonal 1037 δ ip 1146 δ ip trigonal 1178 δ ip	948 ρ CH2	900 ν C-CH3 1041 ρ CH3	960 ν C-O(H) 1158 δ C-O(H) 1284 ν C-O(H)	970 ν C-O 1260 ν C-O
1200–1600	1700–2100	1309 ν C=C Kekule 1482 ν C=C 1599 ν C=C	1350 δ ip in phase	1409 δ internal CH2	1333 δ CH3 1486 δ internal CH3	1511 ν C=O	-
1600–1900	2100–2400	-	-			1500–1700 6 ν C=O
2800–3200	3200–3600	-	3056 ν C-H 3057 ν trigonal C-H 3064 ν C-H 3073 ν in phase C-H	3114 ν CH2	2950 ν CH3	3400 ν OH	-

¹ Greek symbols ν, δ, ρ, r, τ mark stretching, bending, rocking, rotational, and torsion modes, respectively. ² GFs notifications of fundamental vibrations of benzene molecule [30]. ³ GFs notifications of fundamental vibrations of benzyl radical [31,32]. Hereinafter, GFs, additional to the benzene pool of vibrations, will be shown only. ⁴ GFs notifications of fundamental vibrations of toluene [33,34]. ⁵ GFs notifications of fundamental vibrations of p-benzosemiquinone [35]. ⁶ GFs notifications of fundamental vibrations of a large collection of organic molecules [11,12].