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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

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To link to this item DOI: 10.1016/0022-2852(84)90171-1


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
Divisions:Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:7575
Publisher:Academic Press

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