Covalency-Driven Dimerization of Plutonium(IV) in a Hydroxamate Complex
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https://figshare.com/articles/dataset/Covalency-Driven_Dimerization_of_Plutonium_IV_in_a_Hydroxamate_Complex/3404779
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资源简介：
The reaction of formohydroxamic
acid [NH(OH)CHO, FHA] with PuIII should result in stabilization
of the trivalent oxidation
state. However, slow oxidation to PuIV occurs, which leads
to formation of the dimeric plutonium(IV) formohydroxamate complex
Pu2(FHA)8. In addition to being reductants,
hydroxamates are also strong π-donor ligands. Here we show that
formation of the Pu2(FHA)8 dimer occurs via
covalency between the 5f orbitals on plutonium and the π* orbitals
of FHA– anions, which gives rise to a broad and
intense ligand-to-metal charge-transfer feature. Time-dependent density
functional theory calculations corroborate this assignment.
创建时间：
2016-05-31
