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

Abstract

Abstract: According to the data of X-ray crystal structure of CuL²[14]-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 Nof quinoline ring in the coordinate compound(CuL²[14]-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.

Key words: 1,4,8,11-Tetraazacyclotetradecane, Secondary chemical bond, Molecular mechanics, CNDO/2, Molecular electrostatic potential

CLC Number:

O641.2

TrendMD:

YUAN Man-Xue, YANG Da-Jun, SHI Jing, BU Xian-He, LAI Cheng-Ming . 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[J]. Chem. J. Chinese Universities, 1998, 19(4): 583.

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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

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