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Structure–property correlations of the nonlinear optical properties of a few bipodal D–π–A molecules – an experimental and theoretical approach

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Abstract

The nonlinear optical (NLO) properties of a series of pyran based bipodal D–π–A molecules have been studied experimentally and theoretically. The bipodal D–π–A molecules prepared exhibited a very high NLO response depending on the electron donating ability of the donor moiety. In the prepared series, the molecule with dianisylphenylamine (DAPA) as the donor showed the maximum value for the TPA coefficient (β) for a given acceptor unit. The static dipole moment (μtot), mean polarizability (αtot), polarizability anisotropy (Δα), static first order hyperpolarizability (βtot) and second order hyperpolarizability (γtot) were calculated by using DFT at the B3LYP/6-311++G(d,p) level of theory. The trend obtained for the computed hyperpolarizability (βtot) values is in line with the trend in the experimentally obtained values of the TPA coefficient (β) with the variation in the donor capacity.

Graphical abstract: Structure–property correlations of the nonlinear optical properties of a few bipodal D–π–A molecules – an experimental and theoretical approach

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Article information


Submitted
23 Dec 2019
Accepted
23 Mar 2020
First published
23 Mar 2020

New J. Chem., 2020, Advance Article
Article type
Paper

Structure–property correlations of the nonlinear optical properties of a few bipodal D–π–A molecules – an experimental and theoretical approach

P. K. Vineetha, A. Aswathy, E. Shiju, K. Chandrasekharan and N. Manoj, New J. Chem., 2020, Advance Article , DOI: 10.1039/C9NJ06344G

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