摘要
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.
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. Threrfore, B is considered to be an important parameter for the interaction between solute and solvent.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
1997年第4期328-333,共6页
Acta Chimica Sinica
基金
高等学校博士点专项科研基金资助项目
