| 价电子轨道能量指数mE与无机氢化物酸性的相关性 |
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| 引用本文： | 徐士友,宋明友,薛建跃. 价电子轨道能量指数mE与无机氢化物酸性的相关性[J]. 哈尔滨工业大学学报, 2009, 41(5): 263-264 |
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| 作者姓名： | 徐士友 宋明友 薛建跃 |
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| 作者单位： | 巢湖学院化学系,安徽,巢湖,238000;巢湖学院化学系,安徽,巢湖,238000;巢湖学院化学系,安徽,巢湖,238000 |
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| 基金项目： | 安徽省教育厅自然科学研究资助项目 |
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| 摘 要： | 为了研究无机氢化物的HaA酸性变化规律,构建了价电子轨道能量拓扑指数mE.利用其0、1阶指数0E、1E以及A原子的电负性xA与13种p区无机氢化物的pKa1关联,拟合成4个回归方程.相关系数和复相关系数分别为0.9961、0.9961、0.9964和0.9963.预测取得了良好的结果.
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| 关 键 词： | 价电子轨道能量 拓扑指数 无机氢化物 |
Correlativity between the topological index mE of valence electron orbit energy and the acidity of inorganic hydrides |
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| XU Shi-you,SONG Ming-you,XUE Jian-yue. Correlativity between the topological index mE of valence electron orbit energy and the acidity of inorganic hydrides[J]. Journal of Harbin Institute of Technology, 2009, 41(5): 263-264 |
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| Authors: | XU Shi-you SONG Ming-you XUE Jian-yue |
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| Affiliation: | (Dept. of Chemistry,Chaohu college,Chaohu 238000,China) |
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| Abstract: | In order to study the laws of acidity change for inorganic hydrides HaA,a topological index mE of valence electron orbit energy is proposed. Using 0E,1E and electronegativities xA of A atom with 13 kinds of inorganic hydrides pKa1,4 regression equations are suggested. Their related coefficient and re-related coefficient are 0.996 1,0.996 1,0.996 4 and 0.996 3,which proves the better results of calculation. |
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| Keywords: | valence electron orbit energy topological index inorganic hydrides |
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