RELATIONSHIPS BETWEEN LATTICE ENERGIES AND SURFACE ELECTROSTATIC POTENTIALS AND AREAS OF ANIONS

Authors
POLITZER P MURRAY JS
Citation
P. Politzer et Js. Murray, RELATIONSHIPS BETWEEN LATTICE ENERGIES AND SURFACE ELECTROSTATIC POTENTIALS AND AREAS OF ANIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(6), 1998, pp. 1018-1020
Citations number
21
Categorie Soggetti
Chemistry Physical
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
102
Issue
6
Year of publication
1998
Pages
1018 - 1020
Database
ISI
SICI code
1089-5639(1998)102:6<1018:RBLEAS>2.0.ZU;2-0
Abstract
We show that the lattice energies of ammonium, sodium, and potassium s alts can be expressed analytically in terms of the total charges of th e anions and their computed surface electrostatic potentials and areas . The calculations have been carried out at the HF/G-31+G level for 1 7 singly and doubly charged anions. Predicted lattice energies are pre sented for 10 compounds.