| 原位水热合成的二(2,4-二(对硝基苯)-1,3,5-环戊二烯铜配合物的实验和理论研究 |
| |
| 引用本文： | 谢晓锋a 陈三平a 文振翼b 高胜利a,.原位水热合成的二(2,4-二(对硝基苯)-1,3,5-环戊二烯铜配合物的实验和理论研究[J].中国化学,2009,27(3):602-606. |
| |
| 作者姓名： | 谢晓锋a 陈三平a 文振翼b 高胜利a |
| |
| 作者单位： | a西北大学化学系／合成与天然功能分子化学教育部重点实验室 西安710069 ;b 西北大学现代物理研究所 西安710069 ; |
| |
| 摘 要： | 以4-硝基对苯腈，氨水和铜盐反应于在原位水热条件下合成了二（2,4-二（对硝基苯）-1,3,5-环戊二烯铜配合物，通过单晶X射线衍射，元素分析，红外，核磁光谱和热重分析等手段对其进行了表征。结构分析表明，铜与四个源自原位合成的配体上的氮原子配位形成平面四边形构型。基于密度泛函的理论计算对配合物的热力学稳定性进行了阐释。
|
| 关 键 词： | 水热原位合成 结构分析 密度泛函理论计算 |
| 收稿时间： | 2008-8-7 |
| 修稿时间： | 2008-9-19 |
Experimental and Theoretical Analyses of Complex Bis[2,4‐di(p‐nitrophenyl)‐1,3,5‐triazapentadienato]Cu(II) Synthesized in situ |
| |
| Xiaofeng XIE,Sanping CHEN,Zhengyi WEN,Shengli GAO.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(3):602-606. |
| |
| Authors: | Xiaofeng XIE Sanping CHEN Zhengyi WEN Shengli GAO |
| |
| Institution: | 1. Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, Department of Chemistry, Northwest University, Xi'an, Shaanxi 710069, China;2. Institute of Modern Physics, Northwest University, Xi'an, Shaanxi 710069, China |
| |
| Abstract: | 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, 1H 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. |
| |
| Keywords: | hydrothermal in situ synthesis structural analysis DFT calculation |
|
| 点击此处可从《中国化学》浏览原始摘要信息 |
| 点击此处可从《中国化学》下载免费的PDF全文 |
|
