A MOLECULAR-MECHANICS ANALYSIS OF COMPLEXES OF THE SEXIDENTATE MACROCYCLES CIS-6,13-DIMETHYL-1,4,8,11-TETRAAZACYCLOTETRADECANE-6,13-DIAMINE AND TRANS-6,13-DIMETHYL-1,4,8,11-TETRAAZACYCLOTETRADECANE-6,13-DIAMINE

被引：28

作者：

BERNHARDT, PV

COMBA, P

机构：

[1] Institut Für Anorganische Chemie, Universität Basel, Basel, CH-4056

来源：

HELVETICA CHIMICA ACTA | 1991年 / 74卷 / 08期

关键词：

D O I：

10.1002/hlca.19910740826

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular-mechanics calculations of the sexidentate coordinated complexes of the pendant arm macrocyclic hexaamines trans- (L1) and cis-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine (L2) reveal that the trans-isomer shows a preference toward small metal ions, whereas the L2 may coordinate a wider range of metal ions without significant intramolecular strain. Conformational disorder in previously reported crystal structures of complexes of L1 is interpreted, and predictions for some, as yet, unknown complexes of L2 are made.

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页码：1834 / 1842

页数：9

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