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Spectroscopic manifestation of conical intersections of potential surfaces of triatomic systems

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Theoretical and Experimental Chemistry Aims and scope

Abstract

We have calculated the semiclassical shape of the absorption band for a triatomic complex of C2V symmetry, corresponding to an electronic transition from the non-degenerate ground-state and two excited states Ai, Bi (i=1, 2) when there exists a point of accidental degeneracy Ai=Bi. The analysis is done assuming that two normal vibrations are excited, one of which is nontotally symmetric. A comparison is made with the band of the\({\rm A}'\mathop \to \limits^{{\text{e}}'} {\rm E}'\) transition, characterizing optical absorption in Jahn-Teller systems.

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Authors and Affiliations

  1. Division of the Institute of Physics, Academy of Sciences of the USSR, Moscow Oblast

    L. V. Poluyanov

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  1. L. V. Poluyanov
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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 25, No. 3, pp. 337–339, May–June, 1989.

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Poluyanov, L.V. Spectroscopic manifestation of conical intersections of potential surfaces of triatomic systems. Theor Exp Chem 25, 312–314 (1989). https://doi.org/10.1007/BF01299010

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  • DOI: https://doi.org/10.1007/BF01299010

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