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Evidence of symmetry breaking in a Gd2 di-nuclear molecular polymer.
Ekanayaka, Thilini; Jiang, Tao; Delahaye, Emilie; Perez, Olivier; Sutter, Jean-Pascal; Le, Duy; N'Diaye, Alpha T; Streubel, Robert; Rahman, Talat S; Dowben, Peter A.
Afiliação
  • Ekanayaka T; Department of Physics and Astronomy, Theodore Jorgensen Hall, 855 North 16th Street, University of Nebraska-Lincoln, Lincoln, NE, 68588-0299, USA. pdowben1@unl.edu.
  • Jiang T; Department of Physics, University of Central Florida, 4000 Central Florida Blvd, Building 121 PS 430, Orlando, FL, 32816, USA. talat@ucf.edu.
  • Delahaye E; Laboratoire de Chimie de Coordination du CNRS (LCC), Université de Toulouse, CNRS, Toulouse, France. jean-pascal.sutter@lcc-toulouse.fr.
  • Perez O; Normandie Univ, ENSICAEN, Unicaen, CNRS, CRISMAT, 14000, Caen, France.
  • Sutter JP; Laboratoire de Chimie de Coordination du CNRS (LCC), Université de Toulouse, CNRS, Toulouse, France. jean-pascal.sutter@lcc-toulouse.fr.
  • Le D; Department of Physics, University of Central Florida, 4000 Central Florida Blvd, Building 121 PS 430, Orlando, FL, 32816, USA. talat@ucf.edu.
  • N'Diaye AT; Lawrence Berkeley National Laboratory, Advanced Light Source, Berkeley, CA, 94720, USA.
  • Streubel R; Department of Physics and Astronomy, Theodore Jorgensen Hall, 855 North 16th Street, University of Nebraska-Lincoln, Lincoln, NE, 68588-0299, USA. pdowben1@unl.edu.
  • Rahman TS; Department of Physics, University of Central Florida, 4000 Central Florida Blvd, Building 121 PS 430, Orlando, FL, 32816, USA. talat@ucf.edu.
  • Dowben PA; Department of Physics and Astronomy, Theodore Jorgensen Hall, 855 North 16th Street, University of Nebraska-Lincoln, Lincoln, NE, 68588-0299, USA. pdowben1@unl.edu.
Phys Chem Chem Phys ; 25(8): 6416-6423, 2023 Feb 22.
Article em En | MEDLINE | ID: mdl-36779815
A chiral 3D coordination compound, [Gd2(L)2(ox)2(H2O)2], arranged around a dinuclear Gd unit has been characterized by X-ray photoemission and X-ray absorption measurements in the context of density functional theory studies. Core level photoemission of the Gd 5p multiplet splittings indicates that spin orbit coupling dominates over j-J coupling evident in the 5p core level spectra of Gd metal. Indications of spin-orbit coupling are consistent with the absence of inversion symmetry due to the ligand field. Density functional theory predicts antiferromagnet alignment of the Gd2 dimers and a band gap of the compound consistent with optical absorption.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Reino Unido

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Reino Unido