Potential energy surface intersections for triatomic molecules
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 betwee...
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Published in | Journal of molecular spectroscopy Vol. 106; no. 2; pp. 411 - 422 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
San Diego, CA
Elsevier Inc
01.01.1984
Elsevier |
Subjects | |
Online Access | Get full text |
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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 H
2O, NH
2, O
3, C
3, and HNO are discussed as examples. |
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ISSN: | 0022-2852 1096-083X |
DOI: | 10.1016/0022-2852(84)90171-1 |