Abstract
Abstract The infrared spectrum of gaseous UF4 was measured in the range of 75–700 cm−1. Absorptions found at 537 and 114 cm−1 were the asymmetric stretching frequency v3 and the deformation frequency v4 respectively. In addition, a re-analysis of previously published gas electron diffraction data has been made, testing four geometric models for the UF4 molecule (Td, C3v, C2v, and D2d symmetry). The spectroscopic and electron diffraction data are compatible with a tetrahedral symmetry for the UF4 molecule. The bond distance rα (U-F) is 201.7(5) pm. By means of joint analysis of the electron diffraction and spectroscopic data, the symmetric stretching frequency was estimated to be v2 = 123 cm−1. Coriolis constants were calculated using the ΔvPR value of the v3 band. The molecular parameters of tetrahedral UF4 were used for the calculation of the entropy S°(1050 K, UF4, g) = 492.8 ± 3.0 J mol−1 K−1.
Published Version
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