Classical trajectory study of the formation of XeH+ and XeCl+ in the Xe++HCl collision

J. Ree, Y. H. Kim, H. K. Shin
2007 Journal of Chemical Physics  
The collision-induced reaction of Xe + with HCl has been studied by use of classical dynamics procedures at collision energies 2 -20 eV using empirical potential parameters. The principal reaction pathway on the potential energy surface is the formation of XeH + with the maximum reaction cross section, 1.2 Å 2 , occurring at E = 9 eV. At lower energies, the cross section for the charge transfer process Xe + +HCl→ Xe+ HCl + is comparable to that for XeH + formation, but at higher energies, it is
more » ... her energies, it is larger by a factor of 2. The cross section of the XeCl + formation is an order of magnitude smaller than that of XeH + . For both XeH + and XeCl + formations, the reaction threshold is Ϸ2 eV. The XeH + formation takes place immediately following the turning point in a direct-mode mechanism, whereas an indirect-mode mechanism operates in the formation of XeCl + . Both XeH + and XeCl + formations come mainly from the perpendicular configuration, Xe +¯H Cl , at the turning point. Product vibrational excitation is found to be strong in both XeH + and XeCl + .
doi:10.1063/1.2751499 pmid:17688337 fatcat:i3xe5kth4nf63avbikwi6dxvaq