Constitutional, configurational and conformational analysis of transition metal coordination complexes
作者： Andrew R. Leach
DOI: 10.1007/BF00126446
关键词: Coordination complex 、 Transition metal 、 Ion 、 Computational chemistry 、 Degrees of freedom 、 Cobalt 、 Chemistry
摘要: A computational approach to conformational analysis is applied the study of transition metal coordination complexes. The method provides a means rapidly exploring space without any inherent reliance on energy calculations and therefore applicable wide variety systems. It has been incorporated into an algorithm which explores constitutional, configurational degrees freedom for ion number potential ligands. program determines possible complex products could form stable conformations can be used rationalise obtained from mixture. illustrated using two cases: cobalt(III)-triethylenetetramine-glycine system complexes diindolopyridine derivatives.
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