| 摘要: |
| 以碳原子数 N和 Wiener指数 W,P为结构参数 ,通过数学拟合的方法 ,建立了烷烃的折光率与其分子结构间的定量关系式 ,并计算了 1 0 1个烷烃的折光率。结果表明 ,该式计算结果较准确 ,应用该式可以预测烷烃的折光率 |
| 关键词: 烷烃,折光率,结构参数,Wiener指数 |
| DOI： |
| 分类号:O621.2 |
| 基金项目: |
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| The quantitative relationship between alkane refractive index and its molecular structure |
|
ZHANG Yu lin WANG Nai xin
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| Abstract: |
| This paper,using the number N of carbon atoms and Wiener index W,P as structural parameters,established a quantitative relationship formula between refractive indexes of alkanes and its molecular structure.The refractive indexes of 101 alkanes were calculated.The results show that the calculated results of the formula are quite accurate and that the formula possesses a certain theoretical significance.The formula can be used to forecast refractive indexes of alkanes. |
| Key words: alkanes,refractive index,structural parameter,Wiener index |
