Table 2.
Frequencies ωa and friction constants γa of CO motions in DP and Xe sites, and friction constants γb of CO motions around the free energy tops between those sites, and the activation free energies ΔG‡ separating those sites
DP | → | Xe4 | → | Xe2 | → | Xe1 | |
---|---|---|---|---|---|---|---|
ΔG‡ (kcal/mol)∗ | 1.34 | 2.62 | 1.42 | ||||
ωa (10 cm−1) | 2.83 | 3.12 | 4.45 | 2.45 | |||
γa,b (103 cm−1) | 1.98 | 3.87 | 2.86 | 1.55 | 1.68 | 3.02 | 0.97 |
Nishihara et al. (17).