The Renner effect in ²Π electronic states of linear triatomic molecules

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.