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Semi-classical study of the molecular dissociation: H2 + He
Authors:C.S. Lin
Affiliation:Department of Chemistry, University of Windsor, Windsor, Ontario N9B 3 P4, Canada
Abstract:
Accurate vibrational wave functions and a state-dependent model interaction potential were used in the study, within the framework of a semi-classical theory, of the vibrational excitation and dissociation of the hydrogen molecule in collinear collisions with the helium atom. A molecule initially in the excited state is shown to be very efficient in energy transfer and twice more likely to be further excited than to be de-excited. The change in the population distribution among the vibrational states at the first few collisions was analyzed. It is shown that the population of the first vibrational excited state ψ1 reaches its maximum after the very first collision and that of ψ2 after the second. It is also found that at a sufficiently high collision energy, ψ5 is the most efficient state in dissociation at the second collision while ψ6 contributes most at the third collision.
Keywords:
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