| 拓扑指数F'与烷基苯标准生成焓相关关系研究 |
| |
| 引用本文： | 杨锋,罗明道,颜肖慈,屈松生.拓扑指数F'与烷基苯标准生成焓相关关系研究[J].有机化学,2000,20(3):410-414. |
| |
| 作者姓名： | 杨锋 罗明道 颜肖慈 屈松生 |
| |
| 作者单位： | 1. 西南师范大学化学化工学院,重庆,400715
2. 武汉大学化学系,武汉,430072 |
| |
| 基金项目： | 国家自然科学基金资助项目。 |
| |
| 摘 要： | 新建议的拓扑指数F'考虑了分子的图形特征,顶点原子的性质,顶点原子与相邻原子的键合情况,并以矩阵的形式把这些特征表达出来。n个原子构成的体系通过矩阵运算可得到包含n项的多项式,其中,每一项对应一个顶点原子对F'的贡献,从而赋予了拓扑指数F'明确的物理意义。用F'研究一些烷基苯的标准生成焓,得到了令人满意的结果。
|
| 关 键 词： | 拓扑指数F' 烷基苯 生成焓 相关性 拓扑 |
| 修稿时间： | 1999-01-20 |
A novel topological index F' and its application correlation of standard formative enthalpies of formation of alkylbenzenes |
| |
| YANG Feng,LUO Ming-Dao,YAN Xiao-Ci,QU Song-Sheng.A novel topological index F' and its application correlation of standard formative enthalpies of formation of alkylbenzenes[J].Chinese Journal of Organic Chemistry,2000,20(3):410-414. |
| |
| Authors: | YANG Feng LUO Ming-Dao YAN Xiao-Ci QU Song-Sheng |
| |
| Affiliation: | YANG Feng
(School of Chemistry & Chemical Engineering, Southwest Normal University, 400715 Chongqing)QU Song-Sheng
,LUO Ming-Dao
,YAN Xiao-Ci
(Department of chemistry, Wuhan University, 430072 Wuhan) |
| |
| 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 term 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 |
| |
| Keywords: | topological index F' alkylbenzenes standard formative enthalpies conrrelation |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
| 点击此处可从《有机化学》浏览原始摘要信息 |
|
点击此处可从《有机化学》下载全文 |
|
