Table 3. Rotational and vibrational partition functions of glycolamide.
| Temperature (K) | Qr (a) | Qv (b) |
|---|---|---|
| 2.72 | 68.8745 | 1.0000 |
| 8.00 | 342.4694 | 1.0000 |
| 9.38 | 434.0770 | 1.0000 |
| 18.75 | 1224.6939 | 1.0024 |
| 37.50 | 3459.8737 | 1.0529 |
| 75.00 | 9781.5471 | 1.3302 |
| 100.00 | 15059.0883 | 1.6225 |
| 150.00 | 27667.5424 | 2.5317 |
| 225.00 | 50841.4225 | 5.2978 |
| 300.00 | 78299.5551 | 11.5094 |
Notes.
(a)
Qr is the rotational partition function. It does not take the hyperfine splitting into account.
(b)
Qv is the vibrational partition function. The total partition function of the molecule (without hyperfine splitting) is Qr × Qv.