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Table 2

Adopted C-H and C-C band modes in eRCN bulk materials: band centre (ν0), width (δ) and integrated cross-section (σ).

ν 0 δ σ Band eRCN
No. [cm-1 (μm)] [cm-1] [× 10-18 cm2] assignment designation Notes

C-H stretching modes
1 3078 (3.25) 22.5 1.40 sp2 CH2 olefinic, asy. X
2 3050 (3.28) 53.1 1.50 sp2 CH aromatic X
3 3010 (3.32) 47.1 2.50 sp2 CH olefinic X
4 2985 (3.35) 17.7 1.15 sp2 CH2 olefinic, sym. X
5 2960 (3.38) 29.3 5.00 sp3 CH3 aliphatic, asy. φ X
6 2925 (3.42) 28.9 3.30 sp3 CH2 aliphatic, asy. X
7 2900 (3.45) 30.0 0.50 sp3 CH2 aliphatic X
8 2882 (3.47) 30.2 1.00 sp3 CH tertiary aliphatic X
9 2871 (3.48) 27.8 1.45 sp3 CH3 aliphatic, sym. φ X
10 2850 (3.51) 41.8 2.20 sp3 CH2 aliphatic, sym. X
C-H bending modes
11 1470 (6.80) 30.0 0.30 sp3 CH3 aliphatic, asy. φ X est. width
12 1450 (6.90) 30.0 1.20 sp3 CH2 aliphatic X est. width
13 1430 (6.99) 30.0 0.10 sp2 CH aromatic X est. width
14 1410 (7.09) 30.0 1.00 sp2 CH2 olefinic X est. width
15 1400 (7.14) 30.0 0.10 sp3 (CH3)3 aliphatic, sym. X not included
16 1370 (7.30) 30.0 0.30 sp3 CH3 aliphatic, sym. φ X est. width
C-C modes
17 1600 (6.25) 40.0 0.19 sp2 C ≃ C aromatic XC≃C est. width
18 1500 (6.67) 40.0 0.15 sp2 C ≃ C aromatic XC≃C est. width
19 1640 (6.10) 40.0 0.10 sp2 C=C olefinic XC=C all data est.
additionally-assumed and estimated C-H modes
20 3020 (3.31) 50.0 0.50 sp2 CH olefinic X est. intensity and width
21 890 (11.24) 20.0 0.50 sp2 CH aromatic X est. intensity and width
22 880 (11.36) 40.0 0.50 sp2 CH aromatic X est. intensity and width
23 790 (12.66) 50.0 0.50 sp2 CH aromatic X est. intensity and width
additionally-assumed and estimated C-C modes
24 1328 (7.53) 120.0 0.10 sp3 C-C aliphatic X est. intensity and width
25 1300 (7.69) 120.0 0.10 sp3 C-C aliphatic X est. intensity and width
26 1274 (7.85) 120.0 0.10 sp3 C-C aliphatic X est. intensity and width
27 1163 (8.60) 90.0 0.10 sp3 C-C aliphatic X est. intensity and width

Notes. The data, except where indicated as estimated (est.), are taken from Dartois et al. (2004a,b); Joblin et al. (1994); Ristein et al. (1998); Wexler (1967) and E. Dartois private communication. sym. and asy. indicate symmetric and asymmetric modes, respectively. The 3.47 μm band is estimated from Mennella (2008) and assumed to be similar to the CH2 group properties. The 3.38 μm CH3 band intensity has been scaled up by a factor of 1.4, with respect to the expected value, in order to get a better fit to the the Galactic Centre data (Figs. 8 and 10). Data for the additionally-assumed bands are taken from Robertson (1986) and Verstraete et al. (2001); here we have assumed cross-sections of 5 × 10-19 cm2 and 10-19 cm2 for all CH and CC modes, respectively.

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