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

Journal Article · · Chemical Physics Letters
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  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
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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.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1844379
Journal Information:
Chemical Physics Letters, Journal Name: Chemical Physics Letters Vol. 767; ISSN 0009-2614
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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