碱金属化合物磁化率的拓扑研究

Topological Research on the Molar Magnetic Susceptibility of Alkali Metal Compounds

根据经典电动力学推导出表征简单离子磁化率的磁性点价(gi).gi对简单离子具有良好的结构选择性,并与其摩尔磁化率(χm)显著相关.在分子图的邻接矩阵基础上,由gi建构新的连接性指数(mF),用于研究无机化合物的磁化率.其中的0F,1F与45种碱金属化合物(含5种简单阴离子和9种复杂阴离子)的摩尔磁化率(χm)具有良好的相关性,其数学模型为:χm=54.248-36.5500F-30.7721F,R=0.957.该模型在显著水平α=0.01下通过Fischer’s检验.结果表明,该方法计算简单,物理意义明确.

Using the classical electrodynamics, magnetic valence(g_ i),which is able to describe the magnetic susceptibility of simple ion, was proposed. The g_ i was demonstrated to have good structure selectivity for all the ground state simple ions and good correlativity with the molar magnetic susceptibility (χ_ m) of simple ions. Based on the graph theory and g_ i, a new magnetic connectivity index ( mF)was developed and used to study the magnetic susceptibility of inorganic compounds .The linear regression equation between 0F, 1F and χ_ m of 45 alkali metal compounds is drawn up : χ_ m= 54.248 - 36.550  0F - 30.772  1F, R = 0.957. The regression model was proved to be authentic according to the Fischer’s test by the significance level α=0.01.It was demonstrated that the method possesses the advantage of easy computation and clear physical significance. The calculated values by the model were satisfactory .