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

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 Å2, 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 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 ≈2 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+...<FRACTION><NUM>H</NUM><DEN>Cl</DEN></FRACTION>, at the turning point. Product vibrational excitation is found to be strong in both XeH+ and XeCl+. [ABSTRACT FROM AUTHOR]