Skip to main content
. 2021 Jun 22;12(29):10005–10013. doi: 10.1039/d1sc01652k

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
a

Derai et al.34

b

Giles et al.35

c

Petralia et al.7