Formamide hydrolysis in alkaline aqueous solution: Insight from ab initio metadynamics calculations
Formamide hydrolysis in alkaline aqueous solution: Insight from ab initio metadynamics calculations
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DOI：
10.1002/anie.200600283
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发表时间：
2006-01-01
影响因子：
16.6
通讯作者：
Klein, Michael L.
中科院分区：
文献类型：
--
作者：
Blumberger, Jochen;Ensing, Bernd;Klein, Michael L.
氢氧化物对酰胺键的亲核攻击可能是化学中溶剂效应的最好例证之一（见图1）。在气相中，四面体中间体（TI）的形成是无阻碍和高度放热的，是氢-反应的速率决定步骤
The nucleophilic attack of an amide bond by hydroxide is probably one of the best illustrations of solvent effects in chemistry (see Scheme1). While barrierless and highly exothermic in the gas phase,[1] formation of the tetrahedral intermediate (TI) is the rate-determining step in the hydrol-