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)
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Auswertung U(IV) Komplex.opj
md5:ea514aac412eaff868a559f8ab094176
571.5 kB Download
Auswertung U(V) Komplex.opju
md5:a2d5f38831ee6c2a60879e4d6f6f827c
158.8 kB Download
LK18d_neu.cif
md5:7637909cc76a3e6e33124289e2564230
238.5 kB Download
LK39b.cif
md5:ce8667a84ba8fbe207eed823c254558d
3.3 MB Download
Sample1_JM_U4.txt
md5:701598cb78cd0e02cc62c7f0d50e5e13
2.1 kB Download
Sample2_JM_U5_smoothed.txt
md5:640869ab64a9dccc2d041e2223359a42
5.8 kB Download
u_imid_an_linear.xyz
md5:76d197ec0613f646b0c025cc0dea506e
872 Bytes Download
u_imid_dian_linear.xyz
md5:01206c7eb909d8d15a19400ccccad130
872 Bytes Download
u_imid_trian_linear.xyz
md5:50d4723ba45bbe47255005cdeceb15af
872 Bytes Download
UO2.txt
md5:d283f078bf32f2e3fb267fd940adc134
5.5 kB Download
UO2_CL2.txt
md5:3a06bacab24a7863aa88f7546945e638
5.5 kB Download
UV_calc.pdf
md5:8153674dcd21690fc3ec54bbcdae9790
3.3 kB Download
w_imid_an_linear.xyz
md5:6f145500b9fef04dc40aa77ff4c3573a
873 Bytes Download
w_imid_dian_linear.xyz
md5:c18c4a182571ff4c19ea2963ca23e759
872 Bytes Download
w_imid_trian_linear.xyz
md5:a912e574ef4a9d81615b1c81c9f87340
872 Bytes Download
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