结构参数F对稀土元素化合物Δ_fH_m~的相关研究

STUDIES ON THE RELATIONSHIP BETWEEN STRUCTURAL PARAMETER F AND Δ fH ○ m OF THE RARE EARTH COMPOUNDS

用代表顶点原子化学特征的矩阵Ｌ、代表顶点原子与键联结关系的矩阵Ｗ、代表相邻原子键连情况的矩阵Ｘ，它们相乘定义结构参数Ｆ，并用Ｆ对９８个稀土元素化合物的标准生成焓拟合，相关系数为０．９５８２．

The structural parameter F is defined as the multiplication of three matrices L,W,X .The L is the row matrix which is formed by the number of the valence electron of the atoms and the effective main quantum numbers,the W is a adjacency matrix which represents the adjacent relation of atoms and bonds in every molecule,and the X is the column matrix which is formed by the bonded condition in every molecule. The values of F for 98 rare earth compounds are calcuated.The linear regression is obtained with F and the standard enthalpies of formation for the compounds.