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| 分子极化效应与烷烃、醇的空腔表面积 | |
| 引用本文： | 曹晨忠,李志良. 分子极化效应与烷烃、醇的空腔表面积[J]. 有机化学, 1998, 18(3): 248-252 |
| 作者姓名： | 曹晨忠 李志良 |
| 作者单位： | 湘潭师范学院化学系 湘潭411100(曹晨忠)，湖南大学化学化工系 长沙410082(李志良) |
| 摘 要： | 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 控腔表面积 分子极化效应 |
The correlation of the molecular polarizability effect with the cavity surface area for paraffin and alcohol |
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| CAO Chen-Zhong,. The correlation of the molecular polarizability effect with the cavity surface area for paraffin and alcohol[J]. Chinese Journal of Organic Chemistry, 1998, 18(3): 248-252 | |
| Authors: | CAO Chen-Zhong |
| Abstract: | The cavity surface area(CSA) of paraffin and alcohol in water can be calculated by the expression: CSA = 122.984 8.65736SBL - 103. 862AMPEI. Where the parameter SBL is the sum of bond length in the molecule, AMPEI 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. |
| Keywords: | paraffin alcohol cavity surface area molecular polarizability effect index |
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