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Rhodium(i) complexes with carborane-substituted P,N ligands: investigations of electronic structure and dynamic behaviour

Coburger, Peter; Kahraman, Gizem; Straube, Axel; Hey-Hawkins, Evamarie


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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/69587</identifier>
  <creators>
    <creator>
      <creatorName>Coburger, Peter</creatorName>
      <givenName>Peter</givenName>
      <familyName>Coburger</familyName>
      <affiliation>Univ Leipzig, Fac Chem &amp; Mineral, Inst Inorgan Chem, Johannisallee 29, D-04103 Leipzig, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Kahraman, Gizem</creatorName>
      <givenName>Gizem</givenName>
      <familyName>Kahraman</familyName>
    </creator>
    <creator>
      <creatorName>Straube, Axel</creatorName>
      <givenName>Axel</givenName>
      <familyName>Straube</familyName>
      <affiliation>Univ Leipzig, Fac Chem &amp; Mineral, Inst Inorgan Chem, Johannisallee 29, D-04103 Leipzig, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Hey-Hawkins, Evamarie</creatorName>
      <givenName>Evamarie</givenName>
      <familyName>Hey-Hawkins</familyName>
      <affiliation>Univ Leipzig, Fac Chem &amp; Mineral, Inst Inorgan Chem, Johannisallee 29, D-04103 Leipzig, Germany</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Rhodium(I) Complexes With Carborane-Substituted P,N Ligands: Investigations Of Electronic Structure And Dynamic Behaviour</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2019</publicationYear>
  <dates>
    <date dateType="Issued">2019-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/69587</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1039/c9dt00628a</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="http://www.opendefinition.org/licenses/cc-by">Creative Commons Attribution</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">Two distorted square-planar Rh-I complexes (1 and 2) were obtained from [{RhCl(eta(4)-cod)}(2)] and the respective P,N ligands. The metal-ligand interaction was probed with density functional theory (DFT) and ab initio (CASSCF-NEVPT2) calculations. NMR spectroscopy proved dynamic binding behaviour of the ligands in solution. The tetradenticity of the ligands also affects the electrochemical behaviour of complexes 1 and 2 significantly. Finally, preliminary catalytic studies, namely the dehydrocoupling of dimethylamine-borane, are presented.</description>
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