Features of Noncovalent Interactions in the Structures of New Uranyl Methacrylates R[UO2(C4H5O2)3], Where R = $${{({\text{C}}{{{\text{H}}}_{{\text{3}}}})}_{2}}{\text{NH}}_{2}^{ + }$$ or $${{({{{\text{C}}}_{2}}{{{\text{H}}}_{{\text{5}}}})}_{2}}{\text{

The crystals of R[UO2(mac)3]2 (where R is (CH3)2 $${\text{NH}}_{2}^{ + }$$ (I) or (C2H5)2 $${\text{NH}}_{2}^{ + }$$ (II), and mac is methacrylate ion $${{{\text{C}}}_{{\text{4}}}}{{{\text{H}}}_{{\text{5}}}}{\text{O}}_{{\text{2}}}^{ - }$$ ) are synthesized and studied by IR spectroscopy and X-ray diffraction (XRD) (CIF files CCDC nos. 2476810 (I) and 2476811 (II)). The [UO2(mac)3]– complexes have the crystallochemical formula А(B01)3, where A is $${\text{UO}}_{2}^{{2 + }}$$ , and B01 is mac. A comparative analysis of noncovalent interactions in the crystal structures of compounds I and II is carried out using the Voronoi–Dirichlet molecular polyhedra (VDMP) and Hirshfeld surface methods. The results of these independent methods are well consistent for both qualitative and quantitative estimations of intermolecular contacts. Only the VDMP method allows one to characterize in detail any interatomic contacts that contribute to the real range of intermolecular interactions.

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Journal
Russian Journal of Coordination Chemistry
Published
2025-10-01
DOI
https://doi.org/10.1134/s107032842560113x
Primary Topic
Radioactive element chemistry and processing
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article
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article

Features of Noncovalent Interactions in the Structures of New Uranyl Methacrylates R[UO2(C4H5O2)3], Where R = $${{({\text{C}}{{{\text{H}}}_{{\text{3}}}})}_{2}}{\text{NH}}_{2}^{ + }$$ or $${{({{{\text{C}}}_{2}}{{{\text{H}}}_{{\text{5}}}})}_{2}}{\text{

L. B. Serezhkina, A. V. Savchenkov, V. N. Serezhkin, N. A. Shimin et al.
Russian Journal of Coordination Chemistry
Radioactive element chemistry and processing
article

Features of Noncovalent Interactions in the Structures of New Uranyl Methacrylates R[UO2(C4H5O2)3], Where R = $${{({\text{C}}{{{\text{H}}}_{{\text{3}}}})}_{2}}{\text{NH}}_{2}^{ + }$$ or $${{({{{\text{C}}}_{2}}{{{\text{H}}}_{{\text{5}}}})}_{2}}{\text{

L. B. Serezhkina, A. V. Savchenkov, V. N. Serezhkin, N. A. Shimin, M. S. Grigoriev
article en

Abstract

The crystals of R[UO2(mac)3]2 (where R is (CH3)2 $${\text{NH}}_{2}^{ + }$$ (I) or (C2H5)2 $${\text{NH}}_{2}^{ + }$$ (II), and mac is methacrylate ion $${{{\text{C}}}_{{\text{4}}}}{{{\text{H}}}_{{\text{5}}}}{\text{O}}_{{\text{2}}}^{ - }$$ ) are synthesized and studied by IR spectroscopy and X-ray diffraction (XRD) (CIF files CCDC nos. 2476810 (I) and 2476811 (II)). The [UO2(mac)3]– complexes have the crystallochemical formula А(B01)3, where A is $${\text{UO}}_{2}^{{2 + }}$$ , and B01 is mac. A comparative analysis of noncovalent interactions in the crystal structures of compounds I and II is carried out using the Voronoi–Dirichlet molecular polyhedra (VDMP) and Hirshfeld surface methods. The results of these independent methods are well consistent for both qualitative and quantitative estimations of intermolecular contacts. Only the VDMP method allows one to characterize in detail any interatomic contacts that contribute to the real range of intermolecular interactions.

Russian Journal of Coordination ChemistryVol. 51(10)
Samara National Research University (RU), Frumkin Institute of Physical Chemistry and Electrochemistry Russian Academy of Sciences (RU)
Openalex Percentile: Top 42%
Radioactive element chemistry and processing
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