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有机化合物中二级化学键的理论研究(Ⅳ)——喹啉基氮杂大环铜配合物中的二级化学键
Theoretical Study on Secondary Chemical Bond in Organic Compound(Ⅳ) The Secondary Chemical Bonds in Copper(Ⅱ) Complex of 4,8 (8 Methylquinolyl) 1,4,8,11 tetraazacyclotetradecane
【摘要】 前文[1,2]报道了二级化学键存在于若干金属有机化合物以及某些簇合物中,实际上,在Fig.1CrystalstructureofCuL2[14]┐2qu某些配合物体系中亦存在着二级化学键.本文将着重研究喹啉基氮杂环铜配合物(CuL2[14]-2qu)...
【Abstract】 According to the data of X ray crystal structure of CuL 2 2qu, we have used the calculating methods of molecular mechanics, quantum chemistry CNDO/2 and molecular electrostatic potential. The results show that there are the secondary chemical bonds between Cu(Ⅱ) and N of quinoline ring in the coordinate compound(CuL 2 2qu). The existance of secondary chemical bonnds makes the two quinoline pendants on the different sides of the macrocycle plane and the three atoms N11—Cu—N12 nearly co linear.
【关键词】 1`4`8`11-四氮杂环十四烷铜配合物;
二级化学键;
分子力学;
CNDO/2;
分子静电势;
【Key words】 Tetraazacyclotetradecane; Secondary chemical bond; Molecular mechanics; CNDO/2; Molecular electrostatic potential;
【Key words】 Tetraazacyclotetradecane; Secondary chemical bond; Molecular mechanics; CNDO/2; Molecular electrostatic potential;
【基金】 国家自然科学基金
- 【文献出处】 高等学校化学学报 ,CHEMICAL RESEARCH IN CHINESE UNIVERSITIES , 编辑部邮箱 ,1998年04期
- 【分类号】O641.2
- 【被引频次】2
- 【下载频次】67