拓扑指数和拓扑电负性标度及其对有机化合物性质的研究

Studies on properties of some organic compounds with topological index F 3 and topological electronegativity scale I t

提出了反应分子的几何特征和化学性质的拓扑指数Ｆ３，建立了孤立原子的电负性标度Ｉｔ，并用Ｆ３研究了一些有机化合物的标准生成焓ΔｆＨφｍ、沸点、密度、折光率等性质．结果表明，Ｆ１／６３与ΔｆＨφｍ呈线性关系．拓扑电负性Ｉｔ不依赖于实验数值，物理意义明确，和鲍林电负性的相关系数达到０．９７５９．用包含Ｉｔ的Ｆ３研究卤代烃的沸点、密度。

The topological index F 3 which reflects the geometric character and chemical feature of molecules was defined by means of matrix and a new electronegativity scale was proposed.The standard formation enthalpy Δ fH  m ,density,boiling point,refractive index of some organic compounds were studied with F 3 .The results indicated that F 3 was linear to Δ fH  m .From atomic structure the I t of some elements was obtained. I t doesnt depend on experiment but only bases on theoretical calculation,and the relative efficiency to I of Pauling is 0 9759.Using F 3 which includes I t the results obtained from the properties of halohydrocarbons are better than those of I .