Binding in complex ionic systems: anticooperative effects in systems stabilized by electrostatic interactions

Citation
C. Aleman et D. Zanuy, Binding in complex ionic systems: anticooperative effects in systems stabilized by electrostatic interactions, CHEM P LETT, 343(3-4), 2001, pp. 390-396
Citations number
28
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
343
Issue
3-4
Year of publication
2001
Pages
390 - 396
Database
ISI
SICI code
0009-2614(20010803)343:3-4<390:BICISA>2.0.ZU;2-P
Abstract
We compute the binding energies of complexes involving more than two molecu lar ions. More specifically, complexes constituted by acetate anions and ei ther tetramethylammonium or sodium cations have been considered. Calculatio ns have been performed at the ab initio HF and MP2 levels using the 6-31 G(d) basis set. Solvation effects have been represented by a continuum reac tion field procedure. (C) 2001 Published by Elsevier Science B.V.