| 摘要: |
| 提出了一个计算不饱和烃分子中碳原子价点价δi*的新方法，以δi*为核心建构了分子价连接性指数mX*(m=0,1),并研究了单烯烃的沸点与mX*的相关性。结果表明，mX*不仅对单烯烃具有优良的结构选择性，而且与单烯烃的沸点具有高度相关性。 |
| 关键词: 价点价 分子价连接性指数 单烯烃 |
| DOI： |
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| Studies on the quantitative relationship between boiling points of alkenes and molecular valence connectivity index (mX*) |
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| Abstract: |
| A new method for calculation valence delta (δi*) of carbon atoms in molecules of unsaturated hydrocarbons is given in this paper.A novel molecular valence connectivity index mX*(m=0,1) based on the δi* is proposed.Correlation between the boiling points and the index mX* for alkenes is studied.The research results show that the index mX* has shown excellent structural selectivity for alkenes and has high correlativity for boiling points of alkenes.Their correlativity is all even more ideal than that has obtained according to Kier's method. |
| Key words: valence delta,molecular valence connectivity index,alkenes |
