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有机化学
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有机化学 ›› 2000, Vol. 20 ›› Issue (2): 258-262. 上一篇    下一篇

研究论文

脂肪族胺、醇和醚气相碱性的通用表达式

曹晨忠   

  1. 湘潭师范学院化学系.湖南(411100)
  • 发布日期:2000-04-25

The general expression of gas phase basicity of aliphatic amine, alcohol and ether

Cao Chenzhong   

  1. Xiangtan Normal College, Department of Chemistry.Xiangtan(411100)
  • Published:2000-04-25

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402

被引次数

41

脂肪族胺、醇和醚气相质子亲合能(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[Ex(sp^3)]的并系可以表示为：PA(kj/mol)=2383.5547-1060.3351qx+59.4247∑PEI-117.0142Ex(sp^3)。上式较好地表达了脂肪族胺、醇和醚气相碱性的共同规律。

关键词: 脂肪族胺, 醇, 醚, 极化效应, 质子亲合能

In this paper, the gas phase proton affinity (PA) of aliphatic amines, alcohols and ethers is expressed as a function of the atomic charge px ( X=N or O atom), the polarizability Effect Index (PEI) of alkyl group and the hybrid sp^3 orbital energy Ex (sp^3) (X = N or O atom): PA (kj / mol) = 2383.5547 - 1060.3351qx +59.4247 ∑PEI - 117.0142Ex (sp^3). This novel general formula can better elucidate the change rule of PA for the title compounds.

Key words: ALIPHATIC AMINES, ALCOHOL, ETHER, POLARIZATION EFFECT

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