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Molecules 2014, 19(7), 10574-10586; doi:10.3390/molecules190710574

Nonlinear Optical Molecular Switches for Alkali Ion Identification

Laboratoire de Chimie Théorique, UCPTS, Université de Namur (UNamur), rue de Bruxelles 61, B-5000 Namur, Belgium
Institut des Sciences Moléculaires (ISM), Université de Bordeaux, UMR 5255 CNRS, Cours de la Libération 351, F-33405 Talence Cedex, France
Author to whom correspondence should be addressed.
Received: 6 May 2014 / Revised: 23 June 2014 / Accepted: 7 July 2014 / Published: 21 July 2014
(This article belongs to the Special Issue Molecular Switches)
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This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution. View Full-Text
Keywords: nonlinear optics; molecular switches; alkali ion sensing; hyper-Rayleigh scattering; quantum chemical calculations; merocyanine/spiropyran nonlinear optics; molecular switches; alkali ion sensing; hyper-Rayleigh scattering; quantum chemical calculations; merocyanine/spiropyran

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This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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Plaquet, A.; Champagne, B.; Castet, F. Nonlinear Optical Molecular Switches for Alkali Ion Identification. Molecules 2014, 19, 10574-10586.

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