Intermolecular potentials in the dimer, the excimers, and the dimer ions of ethylene

Malar, E Joy Padma and Chandra, Asish K (1981) Intermolecular potentials in the dimer, the excimers, and the dimer ions of ethylene. In: Journal Of Physical Chemistry, 85 (15). pp. 2190-2194.

PDF full_text_12.pdf - Published Version Restricted to Registered users only Download (583kB) | Request a copy

Abstract

Calculations are reported on the interaction energies in the dimer, the excimers, and the dimer ions of ethylene. The various a- and u-electron terms for different conformations of the dimeric species are determined by using the exchange perturbation method. The results predict that the singlet excimer and the dimer cation are stable primarily because of the large magnitude of the exciton-resonance and charge-resonance terms, respectively, while the neutral dimer, the triplet excimer, and the dimer anion are weakly stable. The variations of the various energy terms with conformations suggest that these dimeric species cannot have identifical structure.

Item Type:	Journal Article
Publication:	Journal Of Physical Chemistry
Publisher:	American chemical society
Additional Information:	Copyright of this article belongs to American chemical society.
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	22 Dec 2009 11:53
Last Modified:	19 Sep 2010 05:48
URI:	http://eprints.iisc.ac.in/id/eprint/24047

Actions (login required)

View Item