Theoretical study TPA properties of a series of two-dimensional charge-transfer derivatives

A new series of two-dimensional charge-transfer chromophores were designed and two of them were synthesized. Both theoretical and experimental results show there is no linear absorption in 620-1200 nm, so two-photon propertie s can be expected in this range. Two-photon absorption (TPA) cross-sections were theoretical studied by using quantum-chemical INDO/CI method combined with sum-over-states expression. The results suggest those compounds posse ss large TPA cross-sections as well as appropriate corresponding wavelength s, implying that they are good candidates for two-photon applications. (C) 2001 Elsevier Science B.V. All rights reserved.