TABLE 1.
Temperature dependence of the stretching bands of 13C18O in photoproduct states C′ and C″: fit parameters of dynamic model
| Photoproduct state | C′* | C″ |
|---|---|---|
| ν(3 K) (cm−1) | 2032.10 ± 0.02 | 2033.6 ± 0.1 |
| Δv(0) (cm−1) | 6.20 ± 0.04† | 2.79 ± 0.02 |
| V0 (kJ/mol) | 1.81 ± 0.06 | 4.1 ± 0.2 / 8.0 ± 0.4‡ |
| ω (cm−1) (exp.) | 26.6 ± 1.0 | ND§ |
| ω (cm−1)¶ | 23.0 ± 0.4 | 34.6 ± 0.9 |
| I × 1046 (kg·m2) | 2.4 ± 0.5 | ND |
| β (°) | 29 ± 1 | ND |
| |E| (MV/cm) | 11.1 | 4.4‖ |
| A‖ (cm−1/(MV/cm)−1) | 0.038 ± 0.005 | ND |
*
Data for different CO isotopes have been presented in Kriegl et al. (2003).
†
The errors reflect a 50% increase of χ2 upon variation of the parameter, keeping all other parameters fixed.
‡
Analysis of band areas/peak shifts, respectively.
§
ND, not determined.
¶
Calculated with V0 = 1/2 I ω2 and I = 2 × 1.596 × 10−46 kg m2 (Puzzarini et al., 2003).
‖
Field component in the direction of the minimum of the cavity potential.