Conformational analysis of copper(II) 1,4,8,11-tetraazacyclotetradecane macrocyclic systems

被引：41

作者：

Bakaj, M ^{[1
]}

Zimmer, M ^{[1
]}

机构：

[1] Connecticut Coll, Dept Chem, New London, CT 06320 USA

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1999年 / 508卷 / 1-3期

关键词：

macrocyclic complexes; Meso isomers; Rac isomers; cluster analysis; molecular modeling; Cambridge structural database; conformational searching;

D O I：

10.1016/S0022-2860(99)00032-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A search of the Cambridge Structure Database for all copper (II) complexes with a 1,4,8,11-tetraazacyclotetradecane backbone was conducted. Eighty nine crystal structures were found which were analyzed using an agglomerative, hierarchical, single-link cluster analysis method. The cluster analysis effectively separated the different conformations and configurations of the macrocyclic complexes. Molecular mechanics was used to establish the effect of macrocyclic substituents on the conformations and configurations adopted by the copper(II) macrocyclic complexes. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

收藏

页码：59 / 72

页数：14

相关论文

共 117 条

[41] Conformational analysis of cobalt(III), copper(II), and nickel(I) six-membered-ring systems [J].

DaCruz, MF ;

Zimmer, M .

INORGANIC CHEMISTRY, 1998, 37 (02) :366-368

[42]

DaCruz MF, 1997, INORG CHIM ACTA, V261, P181

[43] Cluster and molecular mechanical analysis of the conformations of all six-membered cobalt(III) diamine rings in the Cambridge structure database [J].

DaCruz, MF ;

Zimmer, M .

INORGANIC CHEMISTRY, 1996, 35 (10) :2872-2877

[44]

DERHEYDE TPEA, 1984, INORG CHEM, V23, P4525

[45] REDOX SWITCHING OF ANTHRACENE FLUORESCENCE THROUGH THE CU-II/CU-I COUPLE [J].

DESANTIS, G ;

FABBRIZZI, L ;

LICCHELLI, M ;

MANGANO, C ;

SACCHI, D .

INORGANIC CHEMISTRY, 1995, 34 (14) :3581-3582

[46] CHIRAL METAL-COMPLEXES .38. COORDINATION CONTROL IN COMPLEXES OF AN OPTICALLY-ACTIVE MACROCYCLIC LIGAND [J].

EDWARDS, R ;

NEWMAN, PD ;

STEPHENS, FS ;

VAGG, RS ;

WILLIAMS, PA .

INORGANICA CHIMICA ACTA, 1993, 204 (01) :125-131

[47] HYDROGEN-BONDING BETWEEN FREE FLUORIDE IONS AND WATER-MOLECULES - 2 X-RAY STRUCTURES [J].

EMSLEY, J ;

ARIF, M ;

BATES, PA ;

HURSTHOUSE, MB .

JOURNAL OF MOLECULAR STRUCTURE, 1990, 220 :1-12

[48] X-RAY STRUCTURES OF [CU(1, 4, 8, 11-TETRA-AZACYCLOTETRADECANE)(H2O)2]F2.4H2O AND [CU(ETHYLENEDIAMINE)2(H2O)2]F2.4H2O REVEAL [F(H2O)4]- WITH STRONG HYDROGEN-BONDS [J].

EMSLEY, J ;

ARIF, M ;

BATES, PA ;

HURSTHOUSE, MB .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1988, (20) :1387-1388

[49] Schiff-base template synthesis of tetra-aza macrocycles involving diethylmalonate as a padlock [J].

Fabbrizzi, L ;

Licchelli, M ;

Poggi, A ;

Vassalli, O ;

Ungaretti, L ;

Sardone, N .

INORGANICA CHIMICA ACTA, 1996, 246 (1-2) :379-385

[50] Template synthesis of a tetraaza macrocycle which involves benzaldehyde rather than formaldehyde as a building block isolation and structure determination of the open-chain Schiff base intermediate complex [J].

Fabbrizzi, L ;

Licchelli, M ;

Lanfredi, AMM ;

Vassalli, O ;

Ugozzoli, F .

INORGANIC CHEMISTRY, 1996, 35 (06) :1582-1589

← 1 2 3 4 5 6 7 8 9 10 →