A novel topological index F' and its application  correlation of standard formative enthalpies of formation of  alkylbenzenes

Chin. J. Org. Chem. ›› 2000, Vol. 20 ›› Issue (3): 410-414. Previous Articles Next Articles

拓扑指数F'与烷基苯标准生成焓相关关系研究

杨锋;罗明道;颜肖慈;屈松生

西南师范大学化学化工学院;武汉大学化学系.武汉(430072)

发布日期:2000-06-25

A novel topological index F' and its application correlation of standard formative enthalpies of formation of alkylbenzenes

Yang Feng;Luo Mingdao;Yan Xiaoci;Qu Songsheng

Wuhan Univ, Dept Chem.Wuhan(430072)

Published:2000-06-25

Abstract

The topolgical index F' proposed in this paper dealed with the feature of molecule graph, the property of vertical atom and the bonding of atoms connected to each other. Matrices were used to represent these characters. By means of matrix operation, a polynomial of n terms is obtained. Each terrm expresses the contributions of the atom to F'. and gives F' definite physical meaning. The correlation of F' and the standard enthalpies of formation for a series of alkyl benzenes was examined. The correlation Coefficient was determined as r=0.999964.

Key words: ALKYLBENZENE, ENTHALPY OF FORMATION, CORRELATIONS, TOPOLOGY

CLC Number:

O642
O621.16

Cite this article

Yang Feng;Luo Mingdao;Yan Xiaoci;Qu Songsheng. A novel topological index F' and its application correlation of standard formative enthalpies of formation of alkylbenzenes[J]. Chin. J. Org. Chem., 2000, 20(3): 410-414.

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[12]	Yu Xunmin. A QSPR study on the standard enthalpy of formation of alkyl derivatives [J]. Chin. J. Org. Chem., 2000, 20(6): 915-920.
[13]	Zhou Wenfu. Quantative separation of σ·Ⅱ-electronic effect of substitued benzenes and correlation of △E~X~.~σ~P^H^O with FMO energy [J]. Chin. J. Org. Chem., 2000, 20(6): 905-909.
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拓扑指数F'与烷基苯标准生成焓相关关系研究

A novel topological index F' and its application correlation of standard formative enthalpies of formation of alkylbenzenes

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