Investigation on the Second-Order Nonlinear Optical Responses in the Keto−Enol Equilibrium of Anil Derivatives
| Autor: | Fabien Mançois, Aurélie Plaquet, Jean-Luc Pozzo, Benoît Champagne, Léa Rougier, Frédéric Castet, Vincent Rodriguez, Maxime Guillaume, Laurent Ducasse |
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| Rok vydání: | 2008 |
| Předmět: |
Electronic correlation
Chemistry Scattering Hyperpolarizability Second-harmonic generation Keto–enol tautomerism Enol Surfaces Coatings and Films Electronic Optical and Magnetic Materials Solvent chemistry.chemical_compound General Energy Computational chemistry Order (group theory) Physical and Theoretical Chemistry |
| Zdroj: | The Journal of Physical Chemistry C. 112:5638-5645 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/jp711511t |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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