Mixed cobalt(III) complexes with aromatic amino acids and diamine. Part IV. Influence of noncovalent intra-and interligand interactions on rotamer population of the S-phenylalaninato and S-tyrosinato side groups in (1,2-diaminoethane)bis-(S-aminocarboxylato)cobalt(III) complexes.

Enantiomer Pub Date : 2002-11-01 DOI:10.1080/10242430215714
Dj U Miodragović, S M Milosavljević, M J Malinar, M B Celap, N Todorović, N Juranić
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引用次数: 4

Abstract

Rotamer population of S-tyrosinato and S-phenylalaninato ligands side groups in diastereomers of (1,2-diaminoethane)bis-(S-aminocarboxylato)cobalt(III) complexes is calculated by vicinal alpha and beta proton coupling constant analysis. The effect of noncovalent intra- and interligand interactions on the population of rotamers in D20 solution is discussed. It has been established that in all the complexes investigated the most abundant is rotamer t, in which aromatic voluminous moiety and carboxylic group are in an anti position. In almost all complexes the lowest content is of rotamer g, in which these two groups are in the nearest position. Relatively high population of rotamer h in complex 5 tyr, in spite of high steric hindrances, is due to intra- and interligand NH...pi interactions.

混合钴(III)配合物与芳香氨基酸和二胺。第四部分:非共价配体内和配体间相互作用对(1,2-二氨基乙烷)双-(s-氨基羧基)钴(III)配合物中s-苯丙氨酸和s-酪氨酸侧基的旋转体居群的影响。
利用邻域α和β质子偶联常数分析计算了(1,2-二氨基乙烷)二-(s-氨基羧酸)钴(III)配合物非对映体中s-酪氨酸和s-苯丙氨酸配体侧基的旋体居群。讨论了非共价配体内和配体间相互作用对D20溶液中旋体居群的影响。在所研究的配合物中,最丰富的是旋转体t,其中芳香体积部分和羧基处于反位置。在几乎所有的配合物中,含量最低的是旋转体g,其中这两个基团位于最近的位置。尽管空间位阻很高,但络合物5 - tyr中旋转体h的相对高的分布是由于配体内和配体间的NH。π相互作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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