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Self-assembly Syntheses,Crystal Structures and Quantum Chemistry of Two UO^(2+)_(2)Complexes

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摘要 Two U0^(2+)_(2) complexes{[C_(5)H_(4)N(0)C=N-N=C(PhHPh)C=N-N=C(0)-C_(5)H_(4)N]2U02(CH30H)}(I)and{[C_(5)H_(4)N(0)ON-N=C(Ph)-(Ph)C=N-N=C(0)-C_(5)H_(4)N]2U02(C_(5)H_(4)N(0)C=N-NH_(2))}(II)were synthesized and characterized by IR,elemental analysis and thermal stability analysis,and the crystal structures were determined by X-ray diffraction.The crystal of complex I belongs to monoclinic system,space group P2_(1/n) with α=11.7678(4),6=16.9667(6),c=14.3051(5)A,β=98.918(3)°,Z=4,F=2821.64(17)A^(3),D_(c)=1.837 Mg·m^(-3),μ(MoKα)=5.805 mm^(-1),F(000)=1504,R=0.0346 and wR=0.0688.The crystal of complex II is of triclinic system,space group Pi with a=11.6417(5),b=11.7297(5),c=14.2197(5)A,α=71.697(4)°,β=86.020(3)°,γ=71.572(4)°,Z=2,K=1748.02(12)A^(3),D_(c)=1.742 Mg·m^(-3),μ(MoKa)=4.704 mm^(-1),F(000)=894,R=0.0283 and wR=0.0537.The U1 is a seven-coordinate pentagonal bipyramidal configuration in I and an eight-coordinate hexagonal dipyramidal configuration in II.The thermal stability and quantum chemical calculations of I and II were also investigated.
作者 TAN Yu-Xing NAN Xiao-Long TAN Yan-Liang ZHANG Zhi-Jian JIANG Wu-Jiu 谭宇星;南小龙;谭延亮;张志坚;蒋伍玖(Key Laboratory of Functional Metal-organic Compounds of Hunan Province,Key Laboratory of Functional Organometallic Materials,University of Hunan Province,Hunan Provincial Engineering Research Center for Monitoring and Treatment of Heavy Metals Pollution in the Upper Reaches of Xiangjiang River,College of Chemistry and Materials Science,Hengyang Normal University,Hengyang,Hunan 421008,China;Nuclear Bureau of Hunan Province Nuclear Industry Brigade 306,Hengyang,Hunan 421008,China;Hunan Provincial Engineering Research Center for Uranium Mineral Exploration Technology,College of Physics and Electronic Engineering,Hengyang Normal University,Hengyang,Hunan 421002,China)
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2021年第12期1673-1679,1555,共8页 结构化学(英文)
基金 Supported by the Foundation of Hunan Provincial Engineering Research Center for Uranium Exploration Technology(No.YK20K03)。
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