A simple method for the estimation of hyperpolarisabilities: Application to diamino substituted dicyanoquinodimethane molecules
Two-level hyperpolarisabilities,β2 of a series of amine substituted dicyanoquinodimethane molecules were investigated utilising a simple solvatochromic method developed by us for the determination of excited state dipole moments. The hyperpolarisability,β as well as the two-level approximation to it,β2, of these quinonoid systems were estimated computationally. Using a parallel study on a set of well known coumarin dyes and their reported electric field induced second harmonic generation (EFISHG)β for calibration, the experimental staticβ’s of quinonoid molecules are estimated and found to the very large, approximately in the range of −50 to −60×10−30 e.s.u.
M Ravi1 2
Volume 134, 2022
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