S K-edge XAS of CuII, CuI, and ZnII oxidized Dithiolene complexes: Covalent contributions to structure and the Jahn-Teller effect.

Ha, Yang; Dille, Sara A; Braun, Augustin; Colston, Kyle; Hedman, Britt; Hodgson, Keith O; Basu, Partha; Solomon, Edward I

S K-edge XAS of Cu^II, Cu^I, and Zn^II oxidized Dithiolene complexes: Covalent contributions to structure and the Jahn-Teller effect.

Ha, Yang; Dille, Sara A; Braun, Augustin; Colston, Kyle; Hedman, Britt; Hodgson, Keith O; Basu, Partha; Solomon, Edward I.

Afiliação

Ha Y; Department of Chemistry, Stanford University, Stanford, CA 94035, United States; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Stanford University, Menlo Park, CA 94025, United States; Advanced Light Source, Lawrence Berkeley National Laboratory, 1 Cyclotron Road,
Dille SA; Department of Chemistry and Chemical Biology, Indiana University-Purdue University Indianapolis, 402 N Blackford St, Indianapolis, IN 46202, United States.
Braun A; Department of Chemistry, Stanford University, Stanford, CA 94035, United States; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Stanford University, Menlo Park, CA 94025, United States.
Colston K; Department of Chemistry and Chemical Biology, Indiana University-Purdue University Indianapolis, 402 N Blackford St, Indianapolis, IN 46202, United States.
Hedman B; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Stanford University, Menlo Park, CA 94025, United States.
Hodgson KO; Department of Chemistry, Stanford University, Stanford, CA 94035, United States; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Stanford University, Menlo Park, CA 94025, United States.
Basu P; Department of Chemistry and Chemical Biology, Indiana University-Purdue University Indianapolis, 402 N Blackford St, Indianapolis, IN 46202, United States.
Solomon EI; Department of Chemistry, Stanford University, Stanford, CA 94035, United States; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Stanford University, Menlo Park, CA 94025, United States. Electronic address: solomone@stanford.edu.

J Inorg Biochem ; 230: 111752, 2022 05.

Article em En | MEDLINE | ID: mdl-35202982

Assuntos

Zinco; Ligantes; Modelos Moleculares; Oxirredução; Espectroscopia por Absorção de Raios X

Palavras-chave

Backbonding; Density functional theory (DFT) calculations; Electronic structures; Jahn-Teller distortion; Oxidized dithiolene; S K-edge X-ray absorption spectroscopy (XAS)

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Zinco Idioma: En Revista: J Inorg Biochem Ano de publicação: 2022 Tipo de documento: Article

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