Solvent Effect on a Model of SNAr Reaction in Conventional and Non-Conventional Solvents

P. Campodónico
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引用次数: 2

Abstract

In this chapter some theoretical and experimental reports in order to elucidate solvent effects (preferential solvation and iso-solvation effects, respectively) over nucleophilic aromatic substitution reactions as reaction model were examined. Solvent effects phenomena are introduced to predict their mechanism highlighting the hydrogen bond role mainly in ionic liquids, a new generation of solvents that can be designed in order to improve the reactivities of the reacting pair and intermediate species through of the potential energy surface (PES). Then, the preferential solvent effect may be defined as the difference between local and bulk compositions of the solute with respect to the various components of the solvent; usually mixtures of solvents and iso-solvation effect indicate the composition of a mixture in which the probe under consideration is solvated by approximately an equal number of cosolvent molecules in the solvent mixture.
常规和非常规溶剂中SNAr反应模型的溶剂效应
本章对亲核芳香取代反应的溶剂效应(分别为优先溶剂化效应和同溶剂化效应)进行了理论和实验研究。介绍了溶剂效应现象,并对其机理进行了预测,重点介绍了氢键在离子液体中的作用,通过势能面(PES)设计新一代溶剂以提高反应对和中间物质的反应活性。然后,优先溶剂效应可以定义为溶质相对于溶剂的各种组分的局部组成和整体组成之间的差异;通常溶剂的混合物和同溶剂化效应表明混合物的组成,其中所考虑的探针被溶剂混合物中大约相等数量的共溶剂分子溶剂化。
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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