Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study

Ahren W. Jasper, Michael D. Hack, Arindam Chakraborty, Donald G. Truhlar, Piotr Piecuch

Research output: Contribution to journalArticle

39 Scopus citations

Abstract

A set of semiclassical trajectory calculations were performed for the photodissociation of LiFH and NaFH. Calculations were performed with two different methods for nonadiabatic dynamics and in both the adiabatic and diabatic representations. It was found that the lifetime of the NaFH complex decreases with increasing excitation energy and is strongly dependent on the excitation energy. On the other hand, the lifetime of the LiFH complex was observed to be less dependent on the excitation energy. The LiFH system was also more reactive than the NaFH system at similar excitation energies.

Original languageEnglish (US)
Pages (from-to)7945-7952
Number of pages8
JournalJournal of Chemical Physics
Volume115
Issue number17
DOIs
StatePublished - Nov 1 2001
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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