Syntheses, crystal structures and quantum chemistry of two Th(IV) complexes based on the diacylhydrazone ligand

•Two rich coordination Th complexes have been synthesized by solvothermal.•The complexes i and II form two-dimensional network structure through the abundant hydrogen bond.•The quantum chemical has indicated the complex I and II are more difficult to lose electrons and be oxidized. Two Th (IV) compl...

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Veröffentlicht in:Journal of molecular structure 2021-11, Vol.1244, p.130972, Article 130972
Hauptverfasser: JIANG, Wu-Jiu, LI, Wang, TANG, Ming-Hao, TAN, Yu-Xing, NAN, Xiao-Long, TAN, Yan-Liang
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Sprache:eng
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Zusammenfassung:•Two rich coordination Th complexes have been synthesized by solvothermal.•The complexes i and II form two-dimensional network structure through the abundant hydrogen bond.•The quantum chemical has indicated the complex I and II are more difficult to lose electrons and be oxidized. Two Th (IV) complexes {[4-NO2C6H4(O)C=N-N=C(R)-(R)C=N-N=C(O)-(4-NO2C6H4)]2Th(CH3OH)2} (R = Ph (I); CH3 (II))were synthesized and characterized by IR, elemental analysis and thermal stability analysis, and the crystal structures were determined by X-ray diffraction. The Th in the complexes I and II adopt ten coordination configuration. Complex I and II also forms a two-dimensional network structure through the abundant hydrogen bond interaction of CH on the benzene ring with O atom on NO2− groups. The UV–vis and quantum chemical calculations of I and II have been investigated. Two Th(IV) complexes were synthesized and characterized, and the crystal structures were determined by X-ray diffraction. The Th in the complexes I and II adopt ten coordination configuration. Complex I and II also forms a two-dimensional network structure. The UV–vis and quantum chemical calculations of I and II have been investigated. [Display omitted]
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2021.130972