Jahn-Teller activity in eight-coordinate Oh fx systems |
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| Authors: | Keith D Warren |
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| Institution: | Department of Chemistry, University College, Cardiff, Wales, UK |
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| Abstract: | The angular overlap model is used for the calculation of the Jahn-Teller coupling constants for Oh, MX8, fx systems in the (LSJMJ) basis. For the 5f1 anion, UF8]3?, the Γ8 ground state is predicted to show substantial Jahn-Teller activity for coupling to the τ2g bending mode, with EJT comparable to ω, a result consistent with the available magnetic susceptibility data. |
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