Potential energy surface intersections in triatomic molecules

Carter, S., Mills, I. and Dixon, R. N. (1984) Potential energy surface intersections in triatomic molecules. Journal of Molecular Spectroscopy, 106 (2). pp. 411-422. ISSN 0022-2852 doi: 10.1016/0022-2852(84)90171-1

Abstract/Summary

The different types of surface intersection which may occur in linear configurations of triatomic molecules are reviewed, particularly with regard to the way in which the degeneracy is split as the molecule bends. The Renner-Teller effect in states of symmetry Π, Δ, Φ, etc., and intersections between Σ and Π, Σ and Δ, and Π and Δ states are discussed. A general method of modelling such intersecting potential surfaces is proposed, as a development of the model previously used by Murrell and Carter and co-workers for single-valued surfaces. Some of the lower energy surfaces of H2O, NH2, O3, C3, and HNO are discussed as examples.

Item Type	Article
URI	https://reading-clone.eprints-hosting.org/id/eprint/7575
Item Type	Article
Refereed	Yes
Divisions	Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
Publisher	Academic Press
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