化学学报 ›› 1997, Vol. 55 ›› Issue (4): 328-333. 上一篇    下一篇

研究论文

有机酸取代基和溶剂效应的静电模型

胡新根;林瑞森;宗汉兴   

  1. 浙江大学化学系
  • 发布日期:1997-04-15

Electrostatic model for substituent and solvent effects on organic acids

HU XINGEN;LIN RUISEN;ZONG HANXING   

  • Published:1997-04-15

本文根据气相实验结果和以往的静电理论, 建立了一个描述有机酸电离取代基和溶剂效应的静电模型。该模型不仅满足气相边界条件, 而且其参数B具有较明确的物理意义, 即与酸官能团的溶剂化半径以及取代基与溶剂分子之间特殊相互作用有关, 因而是描述溶质-溶剂相互作用的重要参数。

关键词: 有机酸, 溶剂效应, 取代基效应, 国家教委高等学校博士学科点专项科研基金, 静电模型

On the basis of experimental results from gas phase and eprevious electrostatic theory, a novel electrostatic model for substituent and solvent effects on organic acids has been constructed. It is found that the present model is consistent with the gas phase limit condition, and that its parameter B has unequivocal physical meaning. B is related to the solvation radius of the functional group and the specific interaction between substituent and solvent. Therefore, B is considered to be an important parameter for the interaction between solute and solvent.

Key words: ORGANIC ACID, SOLVENT EFFECT, SUBSTITUENT EFFECT

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