Transition states and rate constants for ion-molecule association. II. Li++(CH3)2O→Li+[(CH 3)2O]

Scott R. Vande Linde, Sandra L. Mondro, William L. Hase

Research output: Contribution to journalArticle

32 Scopus citations

Abstract

Canonical variational transition state theory is used to study the kinetics of Li++(CH3)2O association. Transition states and rate constants are calculated for a complete analytic potential energy surface which includes all inter- and intramolecular coordinates, and for an ion-dipole/ion-induced-dipole two-body potential. These surfaces have a single transition state at each temperature. Anisotropy in the polarizability is found to have a negligible effect on the association transition states and rate constants. The canonical variational transition state theory rate constants are in good agreement with those calculated by other formalisms.

Original languageEnglish
Pages (from-to)1348-1355
Number of pages8
JournalThe Journal of Chemical Physics
Volume86
Issue number3
DOIs
StatePublished - 1987

Fingerprint Dive into the research topics of 'Transition states and rate constants for ion-molecule association. II. Li<sup>+</sup>+(CH<sub>3</sub>)<sub>2</sub>O→Li<sup>+</sup>[(CH <sub>3</sub>)<sub>2</sub>O]'. Together they form a unique fingerprint.

  • Cite this