@inproceedings{7c0f8c37385b4d61b9851df5d4e21b33,
title = "Solvent effects on the nonlinear optical responses of anil derivatives",
abstract = "This contribution addresses the solvent effects on the second-order nonlinear optical responses of three representative anil derivatives, and in particular on their variations upon switching between the enol-imine and keto-amine forms. The impact of solute-solvent interactions is investigated by means of ab initio and DFT calculations in which solvent effects are included through the polarizable continuum model. In addition, for one of the compounds, Hyper-Rayleigh Scattering experiments and ab initio calculations are combined to highlight the impact of the solvent-induced equilibrium displacement. These studies show that the global solvent effect on the nonlinear optical responses originates from both the displacement of the tautomeric equilibrium and from the modification of the second-order nonlinear optical response of the individual tautomeric forms.",
keywords = "Hyper-Rayleigh Scattering, Nonlinear optics, Quantum-chemical calculations",
author = "Aur{\'e}lie Plaquet and Elena Bogdan and Liudmil Antonov and Vincent Rodriguez and Laurent Ducasse and Beno{\^i}t Champagne and Fr{\'e}d{\'e}ric Castet",
year = "2015",
month = jan,
day = "1",
doi = "10.1063/1.4906726",
language = "English",
series = "AIP Conference Proceedings",
publisher = "American institute of physics",
pages = "488--496",
editor = "Simos, {Theodore E.} and Simos, {Theodore E.} and George Maroulis and Simos, {Theodore E.} and Simos, {Theodore E.}",
booktitle = "Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010",
address = "United States",
note = "International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010 ; Conference date: 03-10-2010 Through 08-10-2010",
}