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

作　　者：袁满雪[1] 杨大军[1] 石静[1] 卜显和[1] 赖城明[1] 

机构地区：[1]南开大学化学系

出　　处：《高等学校化学学报》1998年第4期583-585,共3页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金

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）...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：四氮杂环十四烷 铜 配合物 二级化学键 喹啉基 

分 类 号：O621.13[理学—有机化学] O614.121[理学—化学]