Relativistic Jahn—Teller effect Gg[3/2]×(t2g + eg) in cubic and octahedral molecules

详细

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.