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

被引:3
|
作者
Jiang, Wu-Jiu [1 ]
LI, Wang [1 ]
Tang, Ming-Hao [1 ]
Tan, Yu-Xing [1 ]
Nan, Xiao-Long [2 ]
Tan, Yan-Liang [3 ]
机构
[1] Hengyang Normal Univ, Key Lab Funct Met Organ Cpds Hunan Prov, Key Lab Funct Organometall Mat,Coll Chem & Mat Sc, Univ Hunan Prov,Hunan Prov Engn Res Ctr Monitorin, Hengyang 421008, Hunan, Peoples R China
[2] Nucl Bur Hunan Prov Nucl Ind Brigade 306, Hengyang 421008, Hunan, Peoples R China
[3] Hengyang Normal Univ, Coll Phys & Elect Engn, Hunan Prov Engn Res Ctr Uranium Mineral Explorat, Hengyang 421002, Hunan, Peoples R China
关键词
Th(IV) complexes; Synthesis; Crystal structure; Quantum chemistry; MOLECULAR-STRUCTURE; ACTINIUM;
D O I
10.1016/j.molstruc.2021.130972
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Two Th (IV) complexes {[4-NO2-C6H4(O)C= N-N = C(R)-(R)C= N-N = C(O)-(4-NO2-C6H4)](2)Th(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 C -H on the benzene ring with O atom on NO2- groups. The UV-vis and quantum chemical calculations of I and II have been investigated. (c) 2021 Elsevier B.V. All rights reserved.
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页数:6
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