Calculation of rate constants for dissociative attachment of low-energy electrons to hydrogen halides HCl, HBr, and HI and their deuterated analogs
Houfek, Karel; Čížek, Martin; Horáček, Jiří
Calculations of rate constants for the process of dissociative attachment of low-energy electrons to hydrogen halides HCl, HBr, and HI and for the reverse process of associative detachment based on the nonlocal resonance model are reported. The calculated data are of importance for the modeling of plasma processes, environmental chemistry, etc. The calculated dissociative attachment rate constants are found to be in good agreement with existing experimental data. It is shown that at low temperatures the rate constants are very sensitive to small changes of the parameters of the nonlocal resonance model used for the calculation of the rate constants and represent a severe test of the theory. The isotopic effect and its dependence on the temperature is also discussed. The calculations of rate constants for the reverse process of associative detachment are also reported and discussed.
type: | article |
journal: | Physical Review A |
volume: | 66 |
nr: | 6 |
pages: | 062702 |
year: | 2002 |
link: |
http://pra.aps.org/abstract/PRA/v66/i6/e062702
|
grants: | Resonance processes in small molecules, GAČR 203/00/1025; 2000-2002; hlavní řešitel: Jiří Horáček |