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

MARC21 XML Export

<?xml version='1.0' encoding='UTF-8'?>
<record xmlns="http://www.loc.gov/MARC21/slim">
  <leader>00000nmm##2200000uu#4500</leader>
  <datafield tag="100" ind1=" " ind2=" ">
    <subfield code="a">Köhler, Luisa</subfield>
    <subfield code="u">HZDR</subfield>
    <subfield code="0">(orcid)0000-0003-3013-5590</subfield>
  </datafield>
  <datafield tag="520" ind1=" " ind2=" ">
    <subfield code="a">&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;</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">uranium(V)</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">HERFD XANES</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">cabenes</subfield>
  </datafield>
  <datafield tag="653" ind1=" " ind2=" ">
    <subfield code="a">inverse trans influence</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Patzschke, Michael</subfield>
    <subfield code="u">HZDR</subfield>
    <subfield code="0">(orcid)0000-0003-3125-1278</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Bauters, Stephen</subfield>
    <subfield code="u">The Rossendorf Beamline at ESRF at the European Synchrotron</subfield>
    <subfield code="0">(orcid)0000-0001-5484-8857</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Vitova, Tonya</subfield>
    <subfield code="u">Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal (INE)</subfield>
    <subfield code="0">(orcid)0000-0002-3117-7701</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Butorin, Sergei M.</subfield>
    <subfield code="u">Uppsala University, Molecular and Condensed Matter Physics</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Kvashnina, Kristina O.</subfield>
    <subfield code="u">The Rossendorf Beamline at ESRF at the European Synchrotron</subfield>
    <subfield code="0">(orcid)0000-0003-4447-4542</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Schmidt, Moritz</subfield>
    <subfield code="u">HZDR</subfield>
    <subfield code="0">(orcid)0000-0002-8419-0811</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Stumpf, Thorsten</subfield>
    <subfield code="u">HDZR</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">März, Juliane</subfield>
    <subfield code="u">HZDR</subfield>
    <subfield code="0">(orcid)0000-0003-4960-3745</subfield>
  </datafield>
  <datafield tag="540" ind1=" " ind2=" ">
    <subfield code="u">https://creativecommons.org/licenses/by/4.0/legalcode</subfield>
    <subfield code="a">Creative Commons Attribution 4.0 International</subfield>
  </datafield>
  <datafield tag="041" ind1=" " ind2=" ">
    <subfield code="a">eng</subfield>
  </datafield>
  <datafield tag="024" ind1=" " ind2=" ">
    <subfield code="a">10.14278/rodare.1482</subfield>
    <subfield code="2">doi</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="a">10.1002/chem.202200119</subfield>
    <subfield code="i">isSupplementTo</subfield>
    <subfield code="n">doi</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="a">https://www.hzdr.de/publications/Publ-34386</subfield>
    <subfield code="i">isIdenticalTo</subfield>
    <subfield code="n">url</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="a">10.14278/rodare.1481</subfield>
    <subfield code="i">isVersionOf</subfield>
    <subfield code="n">doi</subfield>
  </datafield>
  <datafield tag="260" ind1=" " ind2=" ">
    <subfield code="c">2022-03-16</subfield>
  </datafield>
  <controlfield tag="001">1482</controlfield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">dataset</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">571544</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/Auswertung U(IV) Komplex.opj</subfield>
    <subfield code="z">md5:ea514aac412eaff868a559f8ab094176</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">158807</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/Auswertung U(V) Komplex.opju</subfield>
    <subfield code="z">md5:a2d5f38831ee6c2a60879e4d6f6f827c</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">238532</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/LK18d_neu.cif</subfield>
    <subfield code="z">md5:7637909cc76a3e6e33124289e2564230</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">3276032</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/LK39b.cif</subfield>
    <subfield code="z">md5:ce8667a84ba8fbe207eed823c254558d</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">2141</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/Sample1_JM_U4.txt</subfield>
    <subfield code="z">md5:701598cb78cd0e02cc62c7f0d50e5e13</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">5850</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/Sample2_JM_U5_smoothed.txt</subfield>
    <subfield code="z">md5:640869ab64a9dccc2d041e2223359a42</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">872</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/u_imid_an_linear.xyz</subfield>
    <subfield code="z">md5:76d197ec0613f646b0c025cc0dea506e</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">872</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/u_imid_dian_linear.xyz</subfield>
    <subfield code="z">md5:01206c7eb909d8d15a19400ccccad130</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">872</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/u_imid_trian_linear.xyz</subfield>
    <subfield code="z">md5:50d4723ba45bbe47255005cdeceb15af</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">5461</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/UO2_CL2.txt</subfield>
    <subfield code="z">md5:3a06bacab24a7863aa88f7546945e638</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">5493</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/UO2.txt</subfield>
    <subfield code="z">md5:d283f078bf32f2e3fb267fd940adc134</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">3289</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/UV_calc.pdf</subfield>
    <subfield code="z">md5:8153674dcd21690fc3ec54bbcdae9790</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">873</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/w_imid_an_linear.xyz</subfield>
    <subfield code="z">md5:6f145500b9fef04dc40aa77ff4c3573a</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">872</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/w_imid_dian_linear.xyz</subfield>
    <subfield code="z">md5:c18c4a182571ff4c19ea2963ca23e759</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">872</subfield>
    <subfield code="u">https://rodare.hzdr.de/record/1482/files/w_imid_trian_linear.xyz</subfield>
    <subfield code="z">md5:a912e574ef4a9d81615b1c81c9f87340</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">user-rodare</subfield>
  </datafield>
  <datafield tag="909" ind1="C" ind2="O">
    <subfield code="o">oai:rodare.hzdr.de:1482</subfield>
    <subfield code="p">openaire_data</subfield>
    <subfield code="p">user-rodare</subfield>
  </datafield>
  <datafield tag="650" ind1="1" ind2="7">
    <subfield code="a">cc-by</subfield>
    <subfield code="2">opendefinition.org</subfield>
  </datafield>
  <controlfield tag="005">20220316105622.0</controlfield>
  <datafield tag="542" ind1=" " ind2=" ">
    <subfield code="l">open</subfield>
  </datafield>
  <datafield tag="245" ind1=" " ind2=" ">
    <subfield code="a">Data publication: Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex</subfield>
  </datafield>
</record>
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
More info on how stats are collected.
Publication date:
March 16, 2022
DOI:
10.14278/rodare.1482

RODARE DOI Badge

DOI 

10.14278/rodare.1482

Markdown 

[![DOI](https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1482.svg)](https://doi.org/10.14278/rodare.1482)

reStructedText 

.. image:: https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1482.svg
   :target: https://doi.org/10.14278/rodare.1482

HTML 

<a href="https://doi.org/10.14278/rodare.1482"><img src="https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1482.svg" alt="DOI"></a>

Image URL 

https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1482.svg

Target URL 

https://doi.org/10.14278/rodare.1482

Keyword(s):
uranium(V) HERFD XANES cabenes inverse trans influence
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-34386
Supplement to:
10.1002/chem.202200119
Communities:
License (for files):
Creative Commons Attribution 4.0 International

Versions

Version 1 10.14278/rodare.1482 Mar 16, 2022
Cite all versions? You can cite all versions by using the DOI 10.14278/rodare.1481. This DOI represents all versions, and will always resolve to the latest one. Read more.

Share

Cite as

Export