Normal-coordinate analyses of some uranyl halide complexes
- 1 January 1984
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 80 (4) , 365-373
- https://doi.org/10.1039/f29848000365
Abstract
Normal-coordinate analyses using the eleven zero-order normal-mode frequencies of UO2Cl2– 4, UO2Br2– 4(D4h) and UO2F3– 5(D5h) 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 UO2Cl2– 4 and in the electronic ground states of the chloro-, bromo- and fluoro-substituted anions is made.Keywords
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