M. Ravi, A SIMPLE METHOD FOR THE ESTIMATION OF HYPERPOLARIZABILITIES - APPLICATION TO DIAMINO SUBSTITUTED DICYANOQUINODIMETHANE MOLECULES, Proceedings of the Indian Academy of Sciences. Chemical sciences, 110(2), 1998, pp. 133-141
Two-level hyperpolarisabilities, beta(2) of a series of amine substitu
ted dicyanoquinodimethane molecules were investigated utilising a simp
le solvatochromic method developed by us for the determination of exci
ted state dipole moments. The hyperpolarisability, beta as well as the
two-level approximation to it, beta(2), of these quinonoid systems we
re estimated computationally. Using a parallel study on a set of well
known coumarin dyes and their reported electric field induced second h
armonic generation (EFISHG) beta for calibration, the experimental sta
tic beta's of quinonoid molecules are estimated and found to be very l
arge, approximately in the range of - 50 to - 60 x 10(-30) e.s.u.