DFT Study on the Stereoisomeric Effect of Aminoacid Side Chain on the Formation of Penta-coordinate Phosphorus Carboxylic-phosphoric Mixed Anhydride
摘要：
N-phosphorylamino-acids can self-catalyze and self-assemble into polypeptides and polynuleotides under mild condition. Both experimental and theoretical studies have shown that a pentacoordinate phosphorus intermolecular mixed carboxylic-phosphoric anhydride (IMCPA) is formed as the common intermediate in these reactions. In this paper, the mechanism of the formation of stereoisomeric penta-coordinate intermediates through different stereochemical reaction pathway is studied at B3LYP/6-311+G(d,p) level. The results show that amino-acid side chains have an obvious effect on the stereochemical specificity of the IMCPAs formation from N-phosphorylamino-acids.
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关键词：
DFT N-phosphorylamino-acids intermolecular mixed carboxylic-phosphoric anhydride origin of life stereoisomerism
年份：
2007
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