Table 4
Zero-point energy differences (in K) between the reactants and products for the isotope fractionation reactions of N2H+ with N2.
| Theory | Exp | ||||||
|
|
|
||||||
| Label | Reaction | This work | HVL10a | TH00b | HKD77c | AS81d | |
|
|
|||||||
| D1 | 14N2H++15N2→15N2H++14N2 | 12.4 | 12.0 | 11.3 | 13 ± 3 | ||
| D2 | 14N2H++15N14N →14N15NH++14N2 | 10.3 | 10.1 | 10.7 | 9.0 | 9 ± 3 | |
| D3 | 14N2H++15N14N →15N14NH++14N2 | 2.0 | 1.9 | 2.25 | 1.9 | ||
| D4 | 14N15NH++15N2→15N2H++15N14N | 2.0 | 1.9 | 2.3 | 9 ± 3 | ||
| D5 | 15N14NH++15N2→15N2H++15N14N | 10.3 | 10.1 | 9.4 | |||
| D6 | 15N14NH++15N14N →14N15NH++14N15N | 8.3 | 8.2 | 7.1 | |||
| D1(D) | 14N2D++15N2→15N2D++14N2 | 15.9 | 15.6 | 14.0 | |||
| D2(D) | 14N2D++15N14N →14N15ND++14N2 | 13.2 | 13.1 | 11.7 | |||
| D3(D) | 14N2D++15N14N →15N14ND++14N2 | 2.8 | 2.6 | 2.4 | |||
| D4(D) | 14N15ND++15N2→15N2D++15N14N | 2.8 | 2.5 | 2.3 | |||
| D5(D) | 15N14ND++15N2→15N2D++15N14N | 13.1 | 12.9 | 11.6 | |||
| D6(D) | 15N14ND++15N14N →14N15ND++14N15N | 10.4 | 10.4 | 9.2 | |||
Notes.
Computed from the original data of Huang et al. (2010);
computed from the original data of Henning et al. (1977);
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