Table 1.
Lowest fundamental vibrational states of n-PrCN.
| g/a | Description | g-n-PrCN | a-n-PrCN | ||
|---|---|---|---|---|---|
| Frequency (cm−1) | Equivalent T (K) | Frequency (cm−1) | Equivalent T (K) | ||
| v30/30 | Asymmetric torsion | 116 | 167 | 101 | 203 |
| v29/18 | C-*C-C bend | 179 | 258 | 163 | 293 |
| v28/29 | CH3 torsion | 262 | 377 | 241 | 405 |
Notes. g/a gives the nomenclature for the gauche/anti conformer respectively. The frequencies are ab initio values taken from Durig et al. (2001). For the anti confomer the equivalent temperature also includes the energy of this conformer (58 K equivalent) above that of the gauche. *C represents the CH2 group adjacent to the C≡N.
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