Experimental, ADO, ACCSA and QM rate coefficients (in cm3 s−1 × 10−9) for the charge transfer reactions between Xe+, Kr+ or Ar+ ions and the two ammonia isotopologues of interest. The experimental uncertainty in the last decimal place is stated in parentheses; for example, kexp = (0.36 ± 0.02) × 10−9 cm3 s−1 for the Xe+ + NH3 system at 260 K (see ESI for details on the calculations). Previous work conducted at 300 K is included for comparison.
| Reaction system | k exp | k H/kD | k ADO | k ACCSA | k QM | Temperature (K) |
|---|---|---|---|---|---|---|
| Xe+ + NH3 | 0.6(1)a | 1.65 | 2.13 | 300 | ||
| 0.8(2)b | ||||||
| 0.36(2)c | 1.74 | 2.25 | 0.28 | 260 | ||
| Xe+ + ND3 | 1.2(2)c | 0.30(5) | 1.60 | 2.12 | 0.25 | 255 |
| Kr+ + NH3 | 0.8(2)a | 1.71 | 2.20 | 300 | ||
| 0.7(1)b | ||||||
| 0.51(5) | 1.82 | 2.38 | 0.34 | 246 | ||
| Kr+ + ND3 | 1.0(3) | 0.5(2) | 1.69 | 2.26 | 0.30 | 239 |
| Ar+ + NH3 | 1.8(4)a | 1.86 | 2.40 | 300 | ||
| 1.4(2) | 2.11 | 2.78 | 0.38 | 204 | ||
| Ar+ + ND3 | 1.7(5) | 0.8(3) | 2.00 | 2.70 | 0.35 | 194 |