Normal-coordinate analyses of some uranyl halide complexes

Abstract

Normal-coordinate analyses using the eleven zero-order normal-mode frequencies of UO₂Cl^2–₄, UO₂Br^2–₄(D_4h) and UO₂F^3–₅(D_5h) with up to ten parameters in the Urey–Bradley force-field and modified Urey–Bradley force-field approximations, and a ten-parameter modified-valence force field with several different choices of angle-bending interaction constants have been made. A comparison of the modified-valence force constants in the electronic ground state and the first excited state of UO₂Cl^2–₄ and in the electronic ground states of the chloro-, bromo- and fluoro-substituted anions is made.