Relativistic Jahn—Teller effect G g [3/2]×(t 2g  + e g ) in cubic and octahedral molecules

L. V. Poluyanov; V. M. Volokhov

doi:10.1007/s11172-016-1537-2

Relativistic Jahn—Teller effect G_g[3/2]×(t_2g + e_g) in cubic and octahedral molecules

Authors: Poluyanov L.V.¹, Volokhov V.M.¹
Affiliations:
1. Institute of Problems of Chemical Physics, Russian Academy of Sciences
Issue: Vol 65, No 8 (2016)
Pages: 1966-1970
Section: Full Articles
URL: https://journals.rcsi.science/1066-5285/article/view/238709
DOI: https://doi.org/10.1007/s11172-016-1537-2
ID: 238709

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Abstract
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Abstract

The properties of the symmetry of the vibronic Hamiltonian of the multimode relativistic Jahn—Teller effect G_g[3/2]×(t_2g + e_g) in cubic and octahedral molecules are studied. The Hamiltonian considered corresponds to the half-integer spin of the electron shell and the linear approximation on the vibrational normal modes t_2g and e_g. The angular variables were separated, and biradial dynamic equations and analytical expressions for the biradial potential energy surfaces were obtained. The positions of the low-lying resonances in two upper potential “bowls” were found.

About the authors

L. V. Poluyanov

Institute of Problems of Chemical Physics, Russian Academy of Sciences

Author for correspondence.
Email: vvm@pro.icp.ac.ru
Russian Federation, 1 prosp. Akad. Semenova, Chernogolovka, Moscow Region, 142432

V. M. Volokhov