The Renner effect in2Π electronic states of linear triatomic molecules
- 1 June 1978
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 35 (6) , 1785-1803
- https://doi.org/10.1080/00268977800101351
Abstract
The theory of the Renner effect in 2Π electronic states of linear triatomic molecules is extended by taking into account simultaneously Renner-Teller, Herzberg-Teller and spin-orbit interactions. Energy expressions for the spin-vibronic levels associated with the bending mode are obtained by using a Van Vleck transformation of a model hamiltonian. The relevance of these expressions, which differ from the corresponding formulae of Pople by correction terms due to Herzberg-Teller interaction, is evaluated by means of numerical calculations. The implications of the theory are discussed.Keywords
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