Prediction of second-order optical nonlinearity of trisorganotin-substituted beta-Keggin polyoxotungstate.

Abstract

The dipole polarizabilities, second-order polarizabilities, and origin of second-order nonlinear optical (NLO) properties of trisorganotin-substituted beta-Keggin polyoxotungstate [XW9O37(SnR)3](11-n)- (X = P, Si, Ge, R = Ph; X = Si, R = PhNO2, PhCCPh) have been investigated by using time-dependent density functional response theory. This class of organic… (More)