Dynamics of Ion-Molecule Recombination. 3. Trends in the Recombination Efficiency

Kandadai N. Swamy, William L. Hase

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30 Scopus citations

Abstract

The quasiclassical trajectory method is used to study the dynamics of ion-molecule recombination reactions. Recombination cross sections are calculated as a function of the initial relative translational energy. The following trend is found for the efficiency of ion-molecule recombination: K++ H2O < Na++ H2O < Li++ H2O < Li++ D2O < Li+(H2O) + H2O < Li++ (CH3)2O. AS the relative translational energy is increased, significant differences are found between the quasiclassical trajectory recombination cross sections and those predicted by the ADO and AMI theories. A short discussion is given of the details for an ion-molecule recombination dynamical model. The ADO, AMI, and quasiclassical trajectory rate constants are compared at 300 K.

Original languageEnglish
Pages (from-to)4071-4077
Number of pages7
JournalJournal of the American Chemical Society
Volume106
Issue number15
DOIs
StatePublished - 1984

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