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Enhanced 5f-δ bonding in [U(C7H7)2]-: C K-edge XAS, magnetism, and ab initio calculations.
Qiao, Yusen; Ganguly, Gaurab; Booth, Corwin H; Branson, Jacob A; Ditter, Alexander S; Lussier, Daniel J; Moreau, Liane M; Russo, Dominic R; Sergentu, Dumitru-Claudiu; Shuh, David K; Sun, Taoxiang; Autschbach, Jochen; Minasian, Stefan G.
Afiliação
  • Qiao Y; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. sgminasian@lbl.gov.
  • Ganguly G; Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA. jochena@buffalo.edu.
  • Booth CH; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. sgminasian@lbl.gov.
  • Branson JA; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. sgminasian@lbl.gov.
  • Ditter AS; Department of Chemistry, University of California, Berkeley, CA 94720, USA.
  • Lussier DJ; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. sgminasian@lbl.gov.
  • Moreau LM; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. sgminasian@lbl.gov.
  • Russo DR; Department of Chemistry, University of California, Berkeley, CA 94720, USA.
  • Sergentu DC; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. sgminasian@lbl.gov.
  • Shuh DK; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. sgminasian@lbl.gov.
  • Sun T; Department of Chemistry, University of California, Berkeley, CA 94720, USA.
  • Autschbach J; Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA. jochena@buffalo.edu.
  • Minasian SG; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. sgminasian@lbl.gov.
Chem Commun (Camb) ; 57(75): 9562-9565, 2021 Sep 21.
Article em En | MEDLINE | ID: mdl-34546232
5f covalency in [U(C7H7)2]- was probed with carbon K-edge X-ray absorption spectroscopy (XAS) and electronic structure theory. The results revealed U 5f orbital participation in δ-bonding in both the ground- and core-excited states; additional 5f ϕ-mixing is observed in the core-excited states. Comparisons with U(C8H8)2 show greater δ-covalency for [U(C7H7)2]-.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chem Commun (Camb) Assunto da revista: QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Chem Commun (Camb) Assunto da revista: QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos