| 正烷基环戊烷结构与熔点关系的拓扑化学研究 |
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| 引用本文： | 王克强.正烷基环戊烷结构与熔点关系的拓扑化学研究[J].内蒙古师范大学学报(自然科学版),1995(2):33-37. |
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| 作者姓名： | 王克强 |
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| 作者单位： | 河南洛阳师专化学系 |
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| 基金项目： | 河南省优秀中青年骨干教师基金 |
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| 摘 要： | 借助于分子拓扑学探讨了正烷基环戊烷的熔点与分子结构的关系，提出了一个结构基础明确的定量关系，对甲基环戊烷到正三十六烷基环戊烷的计算结果表明，熔点计算值都很拉近实验值，平均误差仅０．１１１％?应用这一定量关系，兴驻能够合理表征正烷基环戊烷结构与烷点的关系，而且有助于提示物质结构与性能关系之间的奥秘。
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| 关 键 词： | 结构性能关系 熔点 正烷基环戊烷 拓扑化学 |
STUDIES ON THE RELATIONSHIP BETWEEN MELTING POINTS OF NORMAL ALKYL CYCLOPENTANE AND ITS MOLECULAR STRUCTURE BY USING THE TOPOLOGY |
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| Wang Keqiang.STUDIES ON THE RELATIONSHIP BETWEEN MELTING POINTS OF NORMAL ALKYL CYCLOPENTANE AND ITS MOLECULAR STRUCTURE BY USING THE TOPOLOGY[J].Journal of Inner Mongolia Normal University(Natural Science Edition),1995(2):33-37. |
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| Authors: | Wang Keqiang |
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| Abstract: | An approach based on the molecular topology was used to study the rela-tionship between melting points of normal alkyl cyclopentanes and its molecular structurefor the first time in this paper, and a quantitative relation was developed which can be usedto predict the melting points and to characterize the structure-property relationship ofnormal alkyl cyclopentanes.The results calculated showed that the predicted values of melt-ing points agreed with the expeimental values satisfactorily, and the mean relative deviationwas only 0 .111%,among them the maximium was0.33%.Not only can the quantitative re-lation predict the melting points of normal alkyl cyclopentanes but can help to discover thesecred among the structure-property relationship of matter. |
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| Keywords: | structure-property relationship topological index quantitative rela-tion melting point normal alkyl cyclopentane |
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