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The Topological Index mF of Electronegativity and Its Calculation of Physical and Chemical Properties of Inorganic Compounds
Xu Shiyou*,Tang Giahua
Author NameAffiliationE-mail
Xu Shiyou* Department of Chemistry, Chaohu College, Chaohu 238000 xushiyou2002@etang.com  
Tang Giahua Department of Chemistry, Chaohu College, Chaohu 238000  
Abstract:
Enlightened by the topological index mX of the Randic molecular connection, the author formed the topological index mF of electro negativity. Utilizing the zero and first order indexes of mF related with 20 kinds of alkali halide consisting of lattice energy, enthalpy of formation and hydrated energy, 51 kinds of ion hydrated heat and 80 kinds of ion standard heat of formation, the several regression equations were suggested. Their related coefficients (indexes) are 0.9954 (0.9954), 0.9835 (0.9840), 0.9794(0.9795), 0.9948 and 0.9865, which meet the good or excellent standards. The structure selectivity achieves its only expression. Hence the calculation gains satisfactory results.
Key words:  Electronegativity, Topological index, Correlativity, Lattice energy, Enthalpy of formation, Ion hydrated energy, Hydrated heat, Ion standard heat of formation
FundProject:
电负性拓扑指数mF及其对无机物理化性质的预测
徐士友*,汤家华
摘要:
受Randic分子连接性拓扑指数 mX的启发,构建了电负性拓扑指数 mF.用 mF的0、 1阶指数分别与20种碱金属卤化物的晶格能U、生成焓ΔrHm、离子水化能ΔrGθm、 51种金属离子水合热ΔrHθh和80种离子标准生成热ΔfHθm进行关联,拟合的回归方程的相关系(指)数分别为0.9954(0.9954)、 0.9835(0.9840)、 0.9794(0.9795)、 0.9948和0.9865,满足优级或良级标准.结构选择性达到唯一性表征,预测取得满意的结果.
关键词:  电负性  拓扑指数  相关性  晶格能  生成焓  离子水化能  离子水合热  离子标准生成热
DOI:10.1088/1674-0068/16/3/203-208
分类号: