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Experimental and Theoretical Analyses of Complex Bis[2,4-di(p-nitrophenyl)-1,3,5-triazapentadienato]Cu(II) Synthesized in situ

文献类型：期刊论文

作者Xie Xiaofeng1; Chen Sanping1; Wen Zhengyi2; Gao Shengli1
刊名CHINESE JOURNAL OF CHEMISTRY
出版日期2009-03-01
卷号27页码:602-606
关键词hydrothermal in situ synthesis structural analysis DFT calculation
ISSN号1001-604X
英文摘要The hydrothermal in situ reaction of 4-nitrobenzonitrile, ammonia and Cu(II) salts yielded complex bis[2,4-di(p-nitrophenyl)-1,3,5-triazapentadienato]copper(II), which was characterized by single-crystal X-ray diffraction, elemental analysis. IR spectrum, (1)H NMR spectrum and TGA analysis. X-ray structural analysis revealed that Cu(II) ion was coordinated by four N-terminal atoms from two 2,4-di(p-nitrophenyl)-1,3,5-triazapentadienato ligands forming a tetra-planar geometry. Theoretical calculations based on density functional theory were employed in order to explicate the thermodynamic stability of the complex.
WOS关键词LIGAND SYNTHESIS ; SUPRAMOLECULAR ISOMERISM ; TETRAZOLE FORMATION ; BUILDING-BLOCK ; NITRILES ; DENSITY ; AZIDE
资助项目National Natural Science Foundation of China[20771089] ; National Natural Science Foundation of China[20873100] ; Natural Science Foundation of Shaanxi Province[2007B02] ; Natural Science Foundation of Shaanxi Province[SJ08B09]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000264909300026
出版者WILEY-V C H VERLAG GMBH
资助机构National Natural Science Foundation of China ; Natural Science Foundation of Shaanxi Province
源URL[http://119.78.100.186/handle/113462/31434]  
专题中国科学院近代物理研究所
通讯作者Gao Shengli
作者单位1.NW Univ Xian, Dept Chem, Minist Educ, Key Lab Synthet & Nat Funct Mol Chem, Xian 710069, Shaanxi, Peoples R China
2.NW Univ Xian, Inst Modern Phys, Xian 710069, Shaanxi, Peoples R China
推荐引用方式
GB/T 7714		 Xie Xiaofeng,Chen Sanping,Wen Zhengyi,et al. Experimental and Theoretical Analyses of Complex Bis[2,4-di(p-nitrophenyl)-1,3,5-triazapentadienato]Cu(II) Synthesized in situ[J]. CHINESE JOURNAL OF CHEMISTRY,2009,27:602-606.
APA Xie Xiaofeng,Chen Sanping,Wen Zhengyi,&Gao Shengli.(2009).Experimental and Theoretical Analyses of Complex Bis[2,4-di(p-nitrophenyl)-1,3,5-triazapentadienato]Cu(II) Synthesized in situ.CHINESE JOURNAL OF CHEMISTRY,27,602-606.
MLA Xie Xiaofeng,et al."Experimental and Theoretical Analyses of Complex Bis[2,4-di(p-nitrophenyl)-1,3,5-triazapentadienato]Cu(II) Synthesized in situ".CHINESE JOURNAL OF CHEMISTRY 27(2009):602-606.

入库方式： OAI收割

来源：近代物理研究所

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