Table 2
Adopted nano-diamond C-H and C-C band parameters.
| ν0 | δ | σ | Band | ||
|---|---|---|---|---|---|
| No. | [cm−1 (μm)] | [cm−1] | [ × 10−18 cm/bond] | assignment | Notes |
| C-H stretching modes | |||||
| 0 | 2976 (2.976) | – | – | sp2 CH2 | |
| 1 | 2953 (3.386) | – | – | sp3 CH3 | |
| 2 | 2943 (3.398) | 20.0 | 2.20 | sp3 CH2 {100} | J+04 |
| 3 | 2931 (3.412) | 20.0 | 2.60 | sp3 CH2 {100} | J+04 |
| 4 | 2925 (3.419) | 20.0 | 0.50 | sp3 CH2 | J+04 |
| 5 | 2915 (3.431) | 20.0 | 0.60 | sp3 CH {111} | J+04 |
| 6 | 2901 (3.447) | 20.0 | 0.50 | sp3 CH2 | J+13, modified δ |
| 7 | 2884 (3.467) | 30.0 | 0.60 | sp3 CH | J+13, modified σ |
| 8 | 2874 (3.480) | 15.0 | 1.80 | sp3 CH2 | J+13, modified δ & σ |
| 9 | 2858 (3.499) | 15.0 | 4.00 | sp3 CH2 | J+04, modified σ |
| 10 | 2845 (3.515) | 10.0 | 2.20 | sp3 CH2 | J+04, modified σ |
| 11 | 2833 (3.529) | 10.0 | 2.20 | sp3 CH {111} | J+04, modified σ |
| C-H bending modes | |||||
| 12 | 1450 (6.897) | 3.0 | 1.20 | sp3 CH2 | J+13 |
| C-C modes | |||||
| 13 | 1328 (7.530) | 120.0 | 0.10 | sp3 C−C | J+13 |
| 14 | 1300 (7.692) | 120.0 | 0.10 | sp3 C−C | J+13 |
| 15 | 1274 (7.849) | 120.0 | 0.10 | sp3 C−C | J+13 |
| 16 | 1163 (8.600) | 90.0 | 0.10 | sp3 C−C | J+13 |
| Reconstructed {111} and {100} diamond facet sp2 modes | |||||
| C-H stretching modes | |||||
| 17 | 3078 (3.249) | 22.5 | 1.4 | Olefinic CH2 asym. | J+13, not used here |
| 18 | 3050 (3.279) | 53.1 | 1.5 | Aromatic CH | J+13 |
| 19 | 3020 (3.311) | 50.0 | 0.5 | Olefinic CH | J+13 |
| 20 | 3010 (3.322) | 47.1 | 2.50 | Olefinic CH | J+13 |
| 21 | 2985 (3.350) | 17.7 | 1.15 | Olefinic CH2 sym. | J+13, not used here |
| C-H bending modes | |||||
| 22 | 1430 (6.993) | 60.0 | 0.40 | Aromatic CH | J+13 |
| 23 | 1410 (7.092) | 30.0 | 1.00 | Olefinic CH2 | J+13, not used here |
| 24 | 890 (11.236) | 20.0 | 0.20 | Aromatic CH | J+13 |
| 25 | 880 (11.363) | 40.0 | 0.50 | Aromatic CH | J+13 |
| 26 | 790 (12.658) | 50.0 | 0.50 | Aromatic CH | J+13 |
| C-C modes | |||||
| 27 | 1640 (6.098) | 40.0 | 0.10 | Olefinic CC | J+13 |
| 28 | 1600 (6.250) | 60.0 | 0.76 | Aromatic CC | J+13 |
| 29 | 1500 (6.667) | 40.0 | 0.15 | Aromatic CC | J+13 |
Notes. The CH and CC band parameters (upper entries) and the assumed sp2 modes for surface-reconstructed {111} and {100} diamond facets are: band centre (ν0), width (δ), and integrated cross-section (σ). Bands 0 and 1 have been associated with (nano-)diamond surfaces and are included for completeness but are not used in our analysis. The bands indicated: J+04 were estimated using Jones et al. (2004); J+13 are from Jones et al. (2013), and references therein (i.e., Robertson 1986; Verstraete et al. 2001; Dartois et al. 2004a,b; Joblin et al. 1994; Ristein et al. 1998; Wexler 1967; Mennella 2008, and E. Dartois priv. comm.). sym. and asy. indicate symmetric and asymmetric modes, respectively.
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