Dataset Open Access

Data publication: Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex

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


JSON-LD (schema.org) Export

{
  "identifier": "https://doi.org/10.14278/rodare.1482", 
  "datePublished": "2022-03-16", 
  "creator": [
    {
      "name": "K\u00f6hler, Luisa", 
      "affiliation": "HZDR", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0003-3013-5590"
    }, 
    {
      "name": "Patzschke, Michael", 
      "affiliation": "HZDR", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0003-3125-1278"
    }, 
    {
      "name": "Bauters, Stephen", 
      "affiliation": "The Rossendorf Beamline at ESRF at the European Synchrotron", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0001-5484-8857"
    }, 
    {
      "name": "Vitova, Tonya", 
      "affiliation": "Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal (INE)", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0002-3117-7701"
    }, 
    {
      "name": "Butorin, Sergei M.", 
      "affiliation": "Uppsala University, Molecular and Condensed Matter Physics", 
      "@type": "Person"
    }, 
    {
      "name": "Kvashnina, Kristina O.", 
      "affiliation": "The Rossendorf Beamline at ESRF at the European Synchrotron", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0003-4447-4542"
    }, 
    {
      "name": "Schmidt, Moritz", 
      "affiliation": "HZDR", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0002-8419-0811"
    }, 
    {
      "name": "Stumpf, Thorsten", 
      "affiliation": "HDZR", 
      "@type": "Person"
    }, 
    {
      "name": "M\u00e4rz, Juliane", 
      "affiliation": "HZDR", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0003-4960-3745"
    }
  ], 
  "name": "Data publication: Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "url": "https://rodare.hzdr.de/record/1482", 
  "keywords": [
    "uranium(V)", 
    "HERFD XANES", 
    "cabenes", 
    "inverse trans influence"
  ], 
  "inLanguage": {
    "alternateName": "eng", 
    "name": "English", 
    "@type": "Language"
  }, 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-34386"
  ], 
  "distribution": [
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Auswertung U(IV) Komplex.opj", 
      "fileFormat": "opj", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Auswertung U(V) Komplex.opju", 
      "fileFormat": "opju", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/LK18d_neu.cif", 
      "fileFormat": "cif", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/LK39b.cif", 
      "fileFormat": "cif", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Sample1_JM_U4.txt", 
      "fileFormat": "txt", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Sample2_JM_U5_smoothed.txt", 
      "fileFormat": "txt", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/u_imid_an_linear.xyz", 
      "fileFormat": "xyz", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/u_imid_dian_linear.xyz", 
      "fileFormat": "xyz", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/u_imid_trian_linear.xyz", 
      "fileFormat": "xyz", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/UO2_CL2.txt", 
      "fileFormat": "txt", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/UO2.txt", 
      "fileFormat": "txt", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/UV_calc.pdf", 
      "fileFormat": "pdf", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/w_imid_an_linear.xyz", 
      "fileFormat": "xyz", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/w_imid_dian_linear.xyz", 
      "fileFormat": "xyz", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/w_imid_trian_linear.xyz", 
      "fileFormat": "xyz", 
      "@type": "DataDownload"
    }
  ], 
  "@type": "Dataset", 
  "@context": "https://schema.org/", 
  "description": "<p>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.</p>", 
  "@id": "https://doi.org/10.14278/rodare.1482"
}
419
910
views
downloads
All versions This version
Views 419419
Downloads 910910
Data volume 904.0 MB904.0 MB
Unique views 130130
Unique downloads 126126

Share

Cite as