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Abstract <p>The crystals of R[UO<sub>2</sub>(mac)<sub>3</sub>]<sub>2</sub> (where R is (CH<sub>3</sub>)<sub>2</sub><InlineEquation ID="IEq5"> <EquationSource Format="TEX">\({\text{NH}}_{2}^{ + }\)</EquationSource> <!--CoChem2560113Serezhkina-m5--> </InlineEquation> (<b>I</b>) or (C<sub>2</sub>H<sub>5</sub>)<sub>2</sub><InlineEquation ID="IEq6"> <EquationSource Format="TEX">\({\text{NH}}_{2}^{ + }\)</EquationSource> <!--CoChem2560113Serezhkina-m6--> </InlineEquation> (<b>II</b>), and mac is methacrylate ion <InlineEquation ID="IEq7"> <EquationSource Format="TEX">\({{{\text{C}}}_{{\text{4}}}}{{{\text{H}}}_{{\text{5}}}}{\text{O}}_{{\text{2}}}^{ - }\)</EquationSource> <!--CoChem2560113Serezhkina-m7--> </InlineEquation>) are synthesized and studied by IR spectroscopy and X-ray diffraction (XRD) (CIF files CCDC nos. 2476810 (<b>I</b>) and 2476811 (<b>II</b>)). The [UO<sub>2</sub>(mac)<sub>3</sub>]<sup>–</sup> complexes have the crystallochemical formula А(B<sup>01</sup>)<sub>3</sub>, where A is <InlineEquation ID="IEq8"> <EquationSource Format="TEX">\({\text{UO}}_{2}^{{2 + }}\)</EquationSource> <!--CoChem2560113Serezhkina-m8--> </InlineEquation>, and B<sup>01</sup> is mac. A comparative analysis of noncovalent interactions in the crystal structures of compounds <b>I</b> and <b>II</b> 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.</p>

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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 \({{({{{\text{C}}}_{2}}{{{\text{H}}}_{{\text{5}}}})}_{2}}{\text{NH}}_{2}^{ + }\)

  • 期刊论文

  • 发表日期：

    2025年10月1日

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

摘要

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.