Jahn-teller effect in the vibrational spectra of UF4 isolated in rare gas matrices.

Abstract Infrared and Raman spectra of matrix isolated UF 4 are obtained. The orientation of molecule UF 4 in solid Ar and Kr is discovered. The D 2d symmetry of UF 4 molecule is established. The linear JT coupling constants of UF 4 (symmetry T d , ground state F 1 ) with modes ν 2 (E), ν 3 (F 2 ), ν 4 (F 2 ), are calculated within the framework of the crystal field theory. The D 2d configuration is shown to be the result of tetragonal distortion of tetrahedron due to the coupling of the ground state F 1 with mode ν 2 (E)