Quantum Chemical Calculation of the Effect of Second Ligand on Luminescente Propertise of Eu3+,Tb3+ Organic Complexes

The calculation of binary and ternary Eu3+ and Tb3+ complexes such as Eu(DBM)3, Tb(ACA)3, Eu(DBM)3 Phen and Tb(ACA)3 Phen, were performed with quantum chemical INDO approach. On the basis of the triplet state energy level of ligand, the matching condition of the excited state level of RE3+, the conjugated energy of ligand, the atom net charge, Mulliken Overlap , the advanced linear orbital energy and the electronic totai energy etc, the reason that the luminescent properties of ternary Eu3+ and Tb3+ complexes are better than those of binary completes was initially interpreted. It is consistent with the experimental data.