Investigation on the Second-Order Nonlinear Optical Responses in the Keto−Enol Equilibrium of Anil Derivatives
The Journal of Physical Chemistry C2008Vol. 112(14), pp. 5638–5645
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Aurélie Plaquet, Maxime Guillaume, Benoı̂t Champagne, Léa Rougier, Fabien Mançois, Vincent Rodriguez, Jean‐Luc Pozzo, Laurent Ducasse, Frédéric Castet
Abstract
This paper addresses the linear and second-order nonlinear optical properties of two anil derivatives and in particular their variations upon switching between the enol-imine and keto-amine forms. Quantum chemical evaluations of the first hyperpolarizabilities, accounting for both solvent and electron correlation effects, are compared with hyper-Rayleigh scattering and electric field-induced second harmonic generation measurements. For both compounds, the E/K first hyperpolarizability ratios are larger than 2, demonstrating that the enol forms present the largest responses but also that the switching is associated with a substantial β contrast.
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