Accession Number:

ADA167668

Title:

Discrete Model for Inner-Sphere Reorganization of Anions.

Descriptive Note:

Technical rept.,

Corporate Author:

NEW YORK UNIV NY DEPT OF CHEMISTRY

Personal Author(s):

Report Date:

1986-05-01

Pagination or Media Count:

21.0

Abstract:

The energy of inner sphere reorganization of univalent anions in photoionization in aqueous solution is calculated from a multipole expansion accounting for ion solvent electrostatic interaction. Only terms pertaining to nuclear motion are retained to the exclusion of induced moments. London dispersion, Born repulsion, cavity formation and hydrogen bonding are also taken into account. Calculated and experimental energies agree very well for halide and hydroxide ions in aqueous solution. Keywords Anions Electron transfer Inner-sphere reorganization Multipole expansion Photoionization Solvation.

Subject Categories:

  • Physical Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE