| 氯代苯盐水溶液中盐效应常数的定量结构性质相关研究 |
| |
| 引用本文： | 多杰扎西,吴启勋.氯代苯盐水溶液中盐效应常数的定量结构性质相关研究[J].盐湖研究,2007,15(3):19-23. |
| |
| 作者姓名： | 多杰扎西 吴启勋 |
| |
| 作者单位： | 1. 青海师范大学民族师范学院,青海,西宁,810008
2. 青海民族学院化学系,青海,西宁,810007 |
| |
| 基金项目： | 教育部科学技术研究项目 |
| |
| 摘 要： | 基于量子化学和分子拓扑理论探讨了氯代苯盐水溶液中盐效应常数ks与氯代苯和盐结构之间的定量关系,给出了新的模型方程,它能表征定量结构关系。计算了氯代苯盐水溶液盐效应常数ks的值,并与各种理论值进行了比较,证实了新模型的计算值更接近实验值。
|
| 关 键 词： | 盐效应 量子化学参数 拓扑指数 氯代苯 定量结构-性质相关(QSPR) |
| 文章编号： | 1008-858X（2007）03-0019-05 |
| 修稿时间： | 2007-03-14 |
A QSPR Study on Salt Effect Constant of Chlorobenzene System in Aqueous Salt Solution |
| |
| DUOJIE Zha-xi,WU Qi-xun.A QSPR Study on Salt Effect Constant of Chlorobenzene System in Aqueous Salt Solution[J].Journal of Salt Lake Research,2007,15(3):19-23. |
| |
| Authors: | DUOJIE Zha-xi WU Qi-xun |
| |
| Abstract: | An approach based on quanturn chemistry and the molecular topology theory was used to investigate the quantitative relationship between salt effect constants of chlorobenzene system in aqueous salt solution and the salt structure. A new model was given out which could be used to characterize the structure-property relationship. The salt effect constants of chlorobenzene system in aqueous salt solution were calculated and compared with various theoretical values. It is proven that the calculated values of the new model coincide better with the experimental values. |
| |
| Keywords: | Salt effect Quantum chemical parameters Topology index Chlorobenzene Quantitive structure-property relationship(QSPR) |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
| 点击此处可从《盐湖研究》浏览原始摘要信息 |
| 点击此处可从《盐湖研究》下载免费的PDF全文 |
