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Hydrothermal Synthesis,Crystal structure,DFT and Application of a Dinuclear Cadmium(Ⅱ) Complex Based on NPHSNPAB

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【作者】 董金龙宋珍朱瑞涛赵婷婷李好样任建国

【Author】 DONG Jin-Long;SONG Zhen;ZHU Rui-Tao;ZHAO Ting-Ting;LI Hao-Yang;REN Jian-Guo;Department of Chemistry,Taiyuan Normal University;School of Chemistry and Chemical Engineering,Shanxi University;

【机构】 Department of Chemistry,Taiyuan Normal UniversitySchool of Chemistry and Chemical Engineering,Shanxi University

【摘要】 A new dinuclear cadmium(Ⅱ) complex,[Cd(NPHSNPAB)(H2O)2(CH3CH2OH)]2(1),was synthesized by the hydrothermal reaction of N-phenyl-2-[2-hydroxyl-3-sulfo-5-nitrophenylazo]butadiene-1,3(NPHSNPAB) and Cd(NO32·4H2O,and characterized by elemental analysis,infrared,UV-visible,fluorescence,thermal behavior and single-crystal X-ray diffraction. For this complex: C36H42Cd2N8O22S2,Mr = 1227.74,triclinic system,space group P1,a = 7.555(9),b = 12.006(14),c = 13.943(16) ?,α = 67.955(2),β = 88.573(2),γ = 77.550(2)o,V = 1142.5(2) ?3,Z = 2,Dc = 1.784 g/cm3,λ = 0.71073 ?,F(000) = 620,S = 1.125,R = 0.0460 and w R = 0.1159 for 3949 observed reflections with I > 2(I). X-ray diffraction analysis reveals that the central Cd(Ⅱ) ion is bound by six oxygen atoms,forming a slightly distorted octahedral geometry. Density functional theory of complex 1 was studied. Noticeably,the application of 1 on metallic yarn got good effect.

【基金】 supported by the Soft Science project of Shanxi Province(No.2013041020-03)
【所属期刊栏目】 organic and inorganic structural chemistry (2016年12期)
  • 【DOI】10.14102/j.cnki.0254-5861.2011-1164
  • 【分类号】O641.4
  • 【下载频次】30
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