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
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.
Files
(4.3 MB)
| Name | Size | |
|---|---|---|
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Auswertung U(IV) Komplex.opj
md5:ea514aac412eaff868a559f8ab094176 |
571.5 kB | Download |
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Auswertung U(V) Komplex.opju
md5:a2d5f38831ee6c2a60879e4d6f6f827c |
158.8 kB | Download |
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LK18d_neu.cif
md5:7637909cc76a3e6e33124289e2564230 |
238.5 kB | Download |
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LK39b.cif
md5:ce8667a84ba8fbe207eed823c254558d |
3.3 MB | Download |
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Sample1_JM_U4.txt
md5:701598cb78cd0e02cc62c7f0d50e5e13 |
2.1 kB | Download |
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Sample2_JM_U5_smoothed.txt
md5:640869ab64a9dccc2d041e2223359a42 |
5.8 kB | Download |
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u_imid_an_linear.xyz
md5:76d197ec0613f646b0c025cc0dea506e |
872 Bytes | Download |
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u_imid_dian_linear.xyz
md5:01206c7eb909d8d15a19400ccccad130 |
872 Bytes | Download |
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u_imid_trian_linear.xyz
md5:50d4723ba45bbe47255005cdeceb15af |
872 Bytes | Download |
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UO2.txt
md5:d283f078bf32f2e3fb267fd940adc134 |
5.5 kB | Download |
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UO2_CL2.txt
md5:3a06bacab24a7863aa88f7546945e638 |
5.5 kB | Download |
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UV_calc.pdf
md5:8153674dcd21690fc3ec54bbcdae9790 |
3.3 kB | Download |
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w_imid_an_linear.xyz
md5:6f145500b9fef04dc40aa77ff4c3573a |
873 Bytes | Download |
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w_imid_dian_linear.xyz
md5:c18c4a182571ff4c19ea2963ca23e759 |
872 Bytes | Download |
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w_imid_trian_linear.xyz
md5:a912e574ef4a9d81615b1c81c9f87340 |
872 Bytes | Download |
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| All versions | This version | |
|---|---|---|
| Views | 524 | 524 |
| Downloads | 1,411 | 1,411 |
| Data volume | 1.0 GB | 1.0 GB |
| Unique views | 232 | 232 |
| Unique downloads | 327 | 327 |
- Publication date:
- March 16, 2022
- DOI:
-
- 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