March 16, 2022 Dataset Open Access

Köhler, Luisa; Patzschke, Michael; Bauters, Stephen; Vitova, Tonya; Butorin, Sergei M.; Kvashnina, Kristina O.; Schmidt, Moritz; Stumpf, Thorsten; März, Juliane

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  <identifier identifierType="DOI">10.14278/rodare.1482</identifier>
  <creators>
    <creator>
      <creatorName>Köhler, Luisa</creatorName>
      <givenName>Luisa</givenName>
      <familyName>Köhler</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-3013-5590</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Patzschke, Michael</creatorName>
      <givenName>Michael</givenName>
      <familyName>Patzschke</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-3125-1278</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Bauters, Stephen</creatorName>
      <givenName>Stephen</givenName>
      <familyName>Bauters</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-5484-8857</nameIdentifier>
      <affiliation>The Rossendorf Beamline at ESRF at the European Synchrotron</affiliation>
    </creator>
    <creator>
      <creatorName>Vitova, Tonya</creatorName>
      <givenName>Tonya</givenName>
      <familyName>Vitova</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-3117-7701</nameIdentifier>
      <affiliation>Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal (INE)</affiliation>
    </creator>
    <creator>
      <creatorName>Butorin, Sergei M.</creatorName>
      <givenName>Sergei M.</givenName>
      <familyName>Butorin</familyName>
      <affiliation>Uppsala University, Molecular and Condensed Matter Physics</affiliation>
    </creator>
    <creator>
      <creatorName>Kvashnina, Kristina O.</creatorName>
      <givenName>Kristina O.</givenName>
      <familyName>Kvashnina</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-4447-4542</nameIdentifier>
      <affiliation>The Rossendorf Beamline at ESRF at the European Synchrotron</affiliation>
    </creator>
    <creator>
      <creatorName>Schmidt, Moritz</creatorName>
      <givenName>Moritz</givenName>
      <familyName>Schmidt</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-8419-0811</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
    <creator>
      <creatorName>Stumpf, Thorsten</creatorName>
      <givenName>Thorsten</givenName>
      <familyName>Stumpf</familyName>
      <affiliation>HDZR</affiliation>
    </creator>
    <creator>
      <creatorName>März, Juliane</creatorName>
      <givenName>Juliane</givenName>
      <familyName>März</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-4960-3745</nameIdentifier>
      <affiliation>HZDR</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Data publication: Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex</title>
  </titles>
  <publisher>Rodare</publisher>
  <publicationYear>2022</publicationYear>
  <subjects>
    <subject>uranium(V)</subject>
    <subject>HERFD XANES</subject>
    <subject>cabenes</subject>
    <subject>inverse trans influence</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2022-03-16</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://rodare.hzdr.de/record/1482</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsSupplementTo">10.1002/chem.202200119</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsIdenticalTo">https://www.hzdr.de/publications/Publ-34386</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.14278/rodare.1481</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://rodare.hzdr.de/communities/rodare</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;This set includes single-crystal X-ray diffraction, IR, HERFD XANES and quantumchemical calculation data for the characterization of the synthesized U(IV) amido and U(V) imido complexes. Furthermore with this the inverse trans influence can be evaluated.&lt;/p&gt;</description>
  </descriptions>
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