AM1 study of thiophene 1,1-dioxides compounds with large second-order polarizabilities and high thermal and photo stability

In this paper, a new kind of nonlinear optical chromophores containing thiophene I,l-dioxides subunit was designed and theoretically studied. It has been found that this kind of nonlinear optical chromophores has higher second-order polarizabilities and better thermal and photo stability than their thiophene precursors. Thus they are good candidates for application in electrooptical device. (C) 2000 Elsevier Science B.V. All rights reserved.