Calculation of charge distribution in Cadmium(II) complexes by using ABEEM model

Based on the density functional theory and electronegativity equalization principle,the ABEEM σ-π parameters of atoms and bonds in the model were determined by applying the atom-bond electronegativity equalization σ-π model,i.e.ABEEM σ-π model,and using a separated program through a large number of quantum chemistry calculations with the linear regression and least-square optimization.By employing these parameters,the charge distributions of cadmium(Ⅱ) complexes were calculated.The ABEEM σ-π charge distributions is well relevant to those of the quantum chemistry method,and the linear-correlation coefficient are between 0.93～0.99.This validates further the rationality and reliability of the ABEEM σ-π model,and widened the ABEEM σ-π model's application of transition element in the fifths period.