[Todos] Martes 6 de marzo - 13 hs.- Seminarios DQIAQF - INQUIMAE

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Seminarios DQIAQF - INQUIMAE, martes 6 de marzo - 13 hs.

Aula de Seminarios INQUIMAE - DQIAQF
Facultad de Ciencias Exactas y Naturales
Ciudad Universitaria - Pab. 2  -  Piso 3


Design of molecular switches exhibiting second-order nonlinear optical
responses:
ab initio investigations and hyper Rayleigh scattering characterizations

Aurélie Plaquet


Laboratoire de Chimie Théorique (LCT), Unité de Chimie Physique Théorique
et Structurale, FUNDP, Rue de Bruxelles, 61, B-5000 Namur (Belgium),
Université de Bordeaux, Institut des Sciences Moléculaires (UMR 5255
CNRS), Cours de la Libération, 351, F-33405 Talence (France).
aurelie.plaquet en fundp.ac.be



Molecular switches are compounds presenting the ability to commute
reversibly between two or more states in response to external stimuli. 
The goal of the work is the design of molecular switches exhibiting
contrasts of their second-order nonlinear optical (NLO) properties and the
highlight of the structural and electronic parameters leading to large
contrasts of first hyperpolarizability (β) via a multidisciplinary
approach combining the synthesis of new compounds, the characterization of
their linear (by UV-Visible absorption spectroscopy) and nonlinear optical
properties (by hyper Rayleigh scattering), and the theoretical simulations
in order to predict and interpret molecular properties.  These reversible
switching processes and the resulting variations of molecular properties
have many interests in technological area such as the development of
molecular computers or in life sciences since many biological functions
are based on commutation mechanisms.  The major results of our
investigations are the interpretation of the NLO responses and contrasts
as a function of the nature, the positioning, and the donor/acceptor
character of the substituents.