STRUCTURAL DISTORTION OF CH3I IN AN ION-DIPOLE PRECURSOR COMPLEX

Authors
HU WP TRUHLAR DG
Citation
Wp. Hu et Dg. Truhlar, STRUCTURAL DISTORTION OF CH3I IN AN ION-DIPOLE PRECURSOR COMPLEX, Journal of physical chemistry, 98(4), 1994, pp. 1049-1052
Citations number
40
Categorie Soggetti
Chemistry Physical
Journal title
Journal of physical chemistry → ACNP
ISSN journal
00223654
Volume
98
Issue
4
Year of publication
1994
Pages
1049 - 1052
Database
ISI
SICI code
0022-3654(1994)98:4<1049:SDOCIA>2.0.ZU;2-Q
Abstract
Extended basis set calculations including electron correlation are use d to calculate the properties of I-. CH3I and I-. CD3I ion-molecule co mplexes. The results show smaller geometrical distortions of the molec ular entity upon complexation than were inferred from recent experimen ts.