有机化学 ›› 1998, Vol. 18 ›› Issue (3): 248-252. 上一篇    下一篇

研究论文

分子极化效应与烷烃、醇的空腔表面积

曹晨忠;李志良   

  1. 湘潭师范学院化学系;湖南大学化学化工系
  • 发布日期:1998-06-25

The correlation of the molecular polarizability effect with the cavity surface area for paraffin and alcohol

CAO CHENZHONG;LI ZHILIANG   

  • Published:1998-06-25

烷烃以及醇在水中形成的空腔表面积CSA可由下式计算:CSA=122.984+8.65736SBL-103.862ΔMPEI。其中SBL是分子中所有化学键长度的总和, ΔMPEI是含有相同碳原子数目的(烷烃或者醇)支链异构体分子极化效应指数MPEI支与直链异构体分子极化效应指数MPEI直的差值。

关键词: 烷烃, 醇, 分子极化效应, 控腔表面积

The cavity surface area (CSA) of paraffin and alcohol in water can be calculated by the expression: CSA=122.984+ 8.65736SBL-103.862ΔMPEI. Where the parameter SBL is the sum of bond length in the molecule, ΔMPEI is the difference of molecular polarizability effect index between the normal chain isomer and the branched chain isomer which bearing same carbon atom number for the paraffin or alcohol.

Key words: ALCOHOL, ALKANE

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