ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 30, Number 2
JKCSEZ 30(2)
April 20, 1986 

It is shown that the substitutive ligand on the photochemical substitution reactions of trans-CrⅢN4XY complexes is predicted by considering the total stabilization energy of the hypothetical primary intermediates resulting from the loss of one ligand. The total stabilization energy and one electron energy level of d-orbital are calculated within the framework of angular overlap model. According to the calculated results, the intermediates with larger total stabilization energy are, as expected, more easily produced. Consequently, the relative values of the total stabilization energy are used to decide which of the ligands in trans-CrⅢN4XY complexes is preferentially labilized on the lowest energy d-d irradiation. The prediction for the leaving ligand on the photoaquation of trans-CrⅢN4XY complexes is consistent with the experimental results.