诱导效应指数与脂肪族胺、醇和醚的气相碱性  

Relationship between Inductive Effect Index and Gas Phase Basicity of Aliphatic Amine, Alcohol and Ether

作　　者：张秀利[1] 汪勇先[1] 李俊玲[1] 

机构地区：[1]中国科学院上海原子核研究所,上海201800

出　　处：《有机化学》2003年第2期198-202,共5页Chinese Journal of Organic Chemistry

摘　　要：用烷基诱导效应指数I和RX分子中质子亲合原子X所带电荷qx 及元素电负性XN 与脂肪胺、醇、醚的气相质子亲合能PA进行关联 .结果表明 ,脂肪胺、醇、醚的气相碱性可以用下式定量描述 PA (kJ·mol-1) =2 732 0 333-2 45 7 15 10∑I-14 92 2 35 1qx-732 62 77XN利用上式对 64种化合物的气相碱性进行预测 ,平均相对误差为 0 34 % 。The relationship of gas phase proton affinity (PA) of aliphatic amines, alcohols and ethers, inductive effect index (I) of alkyl group, atomic charge (q(x)), electronegativity of element ( X-N) of affinity atom in RX molecules was studied. The results indicate that PA of aliphatic amines, alcohols and ethers can be quantitatively described as follow: PA (kJ (.) mol(-1)) = 2732.0333 - 2457.1510 Sigma I - 1492.2351q(x) - 732.6277X(N) On the basis of this corelation, the gas phase basicities of 64 aliphatic amines, alcohols and ethers are predicted with average relative error less than or equal to0.34%.

关 键 词：诱导效应指数 脂肪族胺 醇 醚 气相碱性 元素电负性 

分 类 号：O621[理学—有机化学]