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

THE TOPOLOGICAL INDEX m E OF VALENCE ELECTRON ORBIT ENERGY AND CALCULATION OF ACIDITY OF P AREA HYDRIDE

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 (0 E)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 .994 2 (0 .994 9) .

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.