Table 2
Values of the ZPEs for molecules related to the isotopic exchange reactions used in our model.
Molecule | ZPE | ΔZPE (a) | Reference |
---|---|---|---|
(cm−1) | (K) | ||
C2 | 924.13 | – | (1) |
13CC | 906.1 | 25.9 | (1) |
13C2 | 887.8 | 52.3 | (1) |
13C![]() |
26.4 | (1) | |
CS | 640.9 | – | (2) |
13CS | 622.7 | 26.3 | (3) |
C3 | 1705.06 | – | (4) |
13CC2 | 1686.44 | 27 | (4) |
C13CC | 1675.54 | 43 | (4) |
13CC13C (b) | 1667.74 | 27 | (4) |
13C13CC (b) | 1656.70 | 43 | (4) |
13C3 (c) | 1637.79 | 27 | (4) |
Notes. The related references are also given in the fourth column. (a)It is equal to ΔE used in Table 1. (b)ΔZPE is derived with respect to the second molecular species of the group. (c) ΔZPE is derived with respect to the fifth molecular species of the group.
References. (1) Zhang et al. (2011); (2) Bergeman & Cossart (1981); (3) Huber & Herzberg (1979); (4) Schröder & Sebald (2016).
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