Theoretical study of two-photon absorption properties for triphenylamine (boron, aluminum)-cored dendritic compounds

On the basis of the equilibrium geometric structures obtained by using the hybrid B3LYP functional combined with the 6-31G basis set, the electronic structures, one- and two-photon properties of triphenylamine (boron, aluminum)-cored dendritic compounds have been studied by using ZINDO/SDCI and sum-over-states (SOS) formula. The dentritic structure-TPA property relationship has been discussed. These compounds exhibit large TPA cross-sections and good transparency. They are promising TPA materials for optical power limiting.