| 价电子轨道能量拓扑指数mE及其对P区氢化物酸性的预测 |
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| 引用本文： | 徐士友,汤家华. 价电子轨道能量拓扑指数mE及其对P区氢化物酸性的预测[J]. 安徽师范大学学报(自然科学版), 2002, 25(3): 257-259. DOI: 10.3969/j.issn.1001-2443.2002.03.013 |
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| 作者姓名： | 徐士友 汤家华 |
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| 作者单位： | 巢湖师范专科学校,化学系,巢湖,238000 |
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| 摘 要： | 受Randic分子连接性拓扑指数mX的启发,构建了一种价电子轨道能量拓扑指数mE.利用其0阶(0E)和1阶(1E)指数,与13种p区无机氢化物的pKa1关联,拟合成2个线性回归方程.拓扑指数的结构选择性达到唯一性表征,相关系(指)数为0.9942(0.9949).预测取得了令人满意的结果.
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| 关 键 词： | 价电子轨道能量 拓扑指数 P区氢化物 pKa1结构选择性 相关性 |
| 文章编号： | 1001-2443(2002)03-0257-03 |
| 修稿时间： | 2001-10-29 |
THE TOPOLOGICAL INDEX m E OF VALENCE ELECTRON ORBIT ENERGY AND CALCULATION OF ACIDITY OF P AREA HYDRIDE |
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| XU Shi you,TANG Gia hua. THE TOPOLOGICAL INDEX m E OF VALENCE ELECTRON ORBIT ENERGY AND CALCULATION OF ACIDITY OF P AREA HYDRIDE[J]. Journal of Anhui Normal University(Natural Science Edition), 2002, 25(3): 257-259. DOI: 10.3969/j.issn.1001-2443.2002.03.013 |
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| Authors: | XU Shi you TANG Gia hua |
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| Abstract: | Entightened by the topological index mX of the Randic molecular connection , the topological inded mE of valence electron orbit energy was developed.Utilizing the link between its, 0E, 1E and 13 kinds pka1 of p area inoganic hydride, 2 linear regression equations were suggestde.The structure selectivity achives its own and only expression , relevant coefficient (index) is 0.9942(0.9949),Hence the calculation gains satisfactory results. |
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| Keywords: | valence electron orbit energy topological index p area hydride pKa 1 structure selectivity correlativity |
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