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有机化学
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有机化学 ›› 2003, Vol. 23 ›› Issue (2): 198-202. 上一篇    下一篇

研究论文

诱导效应指数与脂肪族胺、醇和醚的气相碱性

张秀利;汪勇先;李俊玲   

  1. 中国科学院上海原子核研究所.上海(201800)
  • 发布日期:2003-02-25

Relationship between inductive effect index and gas phase basicity of aliphatic amine,alcohol and ether

Zhang Xiuli;Wang Yongxian;Li Junling   

  1. Shanghai Institute of Nuclear Research,Chinese Academy of Sciences. Shanghai(201800)
  • Published:2003-02-25

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478

被引次数

34 | 5

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)-2732.0333-2457.1510∑I-1492.2351qx- 732.6277XN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％ ，预测值和实验值的偏差均在实验误差范围内。

关键词: 脂肪族胺, 醇, 醚, 电负性, 诱导效应

The relationship of gas phase proton affinity (PA) of aliphatic amines, alcohols and ethers, inductive effect index ( I) of alkyl group, atomic charge ( qx), 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:q PA (kJ·mor~-1) =2732.0333-2457. 1510∑I- 1492.2351 q -x-732.6277 Z-N On the basis of this corelation, the gas phase basicities of 64 aliphatic amines, alcohols and ethers are predicted with average relative error ≤0.34% .

Key words: ALIPHATIC AMINES, ALCOHOL, ETHER, ELECTRONEGATIVITY, INDUCTIVE EFFECT

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