脂肪族胺、醇和醚气相碱性的通用表达式  

The General Expression of Gas Phase Basicity of Aliphatic Amine, Alcohol and Ether

作　　者：曹晨忠[1] 

机构地区：[1]湘潭师范学院化学系,湘潭411100

出　　处：《有机化学》2000年第2期258-262,共5页Chinese Journal of Organic Chemistry

基　　金：湖南省教委资助项目

摘　　要：脂肪族胺、醇和醚的气相质子亲合能(PA)与N、O原子所带电荷(qx)、烷基的极化效应指数(PEI)以及N、O原子的sp^3杂化轨道能量[E_X(sp^3)]的关系可以表示为:PA(kJ/mol)=2383.5547-1060.3351qx+59.4247∑PEI-117.0142E_X(sp^3)。上式较好地表达了脂肪族胺、醇和醚气相碱性变化的共同规律。In this paper, the gas phase proton affinity ( PA ) of aliphatic amines, alcohols and ethers is expressed as a function of the atomic charge qX(X = N or O atom) , the Polarizability Effect Index ( PEI) of alkyl group and the hybrid sp3 orbital energy EX(sp3) (X= N or O atom): PA(kJ/mol) = 2383.5547 - 1060.3351qX+ 59.4247PEI - 117.0142EX(sp3) . This novel general formula can better elucidate the change rule of PA for the title compounds.

关 键 词：胺 醇 醚 质子亲合能 脂肪族 气相碱性 分子结构 

分 类 号：O621[理学—有机化学]