| 拓扑指数mZ与无机氢化物pKa1的关系 |
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| 引用本文： | 徐士友,汪海燕. 拓扑指数mZ与无机氢化物pKa1的关系[J]. 吉林工学院学报, 2003, 24(3): 21-23 |
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| 作者姓名： | 徐士友 汪海燕 |
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| 作者单位： | 徐士友（巢湖学院,化学系,安徽,巢湖,238000）;汪海燕（巢湖学院,化学系,安徽,巢湖,238000） |
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| 摘 要： | 受Randic分子连接性拓扑指数的启发，构建了拓扑指数^mZ。用其1阶(^1Z)指数，1阶指数和元素电负性差的平方(XA-XH)^2与13种p区无机氢化物的pKa1值关联．拟合成2个回归方程，其相关系数与相关指数分别为0．9938和0．9961，结构选择性达到唯一性表征，预测取得了较好的结果。
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| 关 键 词： | 价电子轨道能量 无机氢化物 pKa2 拓扑指数 结构选择性 相关性 |
| 文章编号： | 1006-2939(2003)03-0021-03 |
| 修稿时间： | 2003-05-14 |
The Topological Index mZ and Its Relationship with pKa1 of Inorganic Hydrides |
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| XU Shi-you,WANG Hai-yan. The Topological Index mZ and Its Relationship with pKa1 of Inorganic Hydrides[J]. Journal of Jilin Institute of Technology, 2003, 24(3): 21-23 |
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| Authors: | XU Shi-you WANG Hai-yan |
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| Abstract: | Enlightened by the topological index mX of the Randic molecular connection, the author develops a topological index mZ, the valence electron orbit energy. Utilizing the link between its 1Z, 1Z and (XA-xH)2 and 13 kinds pKa1 of p area inoganic hydrides, two regression equations were suggested, the relevant coefficient and the relevant exponent are is 0. 993 8 and 0. 996 1 respectively, which show that the structure selectivity is unique. Hence the calculation gains better results. |
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| Keywords: | valence electron orbit energy inorganic hydrides pKa1 topological index structure selectivity correlativity. |
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