Analyses of the excited 5f1 optical spectra of Th3+ compounds

We look at the electronic structure of Th(Cp")3 (Cp" = η5-C5H3(SiMe3-1,3), a molecule which has a 6d1 ground configuration and an excited 5f1 configuration beginning approximately 14,000 cm-1 higher, is reexamined. The ground state of the 6d1 configuration in a crystal field of D3h symmetr...

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Bibliographic Details
Published in:Chemical physics letters 2021-01, Vol.767
Main Author: Edelstein, Norman M.
Format: Article
Language:English
Subjects:
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Online Access:Get full text
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Summary:We look at the electronic structure of Th(Cp")3 (Cp" = η5-C5H3(SiMe3-1,3), a molecule which has a 6d1 ground configuration and an excited 5f1 configuration beginning approximately 14,000 cm-1 higher, is reexamined. The ground state of the 6d1 configuration in a crystal field of D3h symmetry is shown to be an orbitally quenched 2A1' state, best described as a pure 2D1/2 state. Electric dipole selection rules from this state to the states for the 5f1 configuration in a D3h crystal field result in the 5f1 truncated optical spectrum observed. The optical spectrum of the square planar Th3+ compound [Li(THF)4][Th(OAr')4], where (OAr' = OC6 H2tBu2-2,6-Me-4), is discussed.
ISSN:0009-2614
1873-4448