Dynamical Behavior and Second Harmonic Generation Responses in Acido-Triggered Molecular Switches

TitreDynamical Behavior and Second Harmonic Generation Responses in Acido-Triggered Molecular Switches
Type de publicationArticle de revue
AuteurPielak, Kornelia, Tonnelé, Claire, Sanguinet, Lionel , Cariati, Elena, Righetto, Stefania, Muccioli, Luca, Castet, Frédéric, Champagne, Benoît
EditeurAmerican Chemical Society
TypeArticle scientifique dans une revue à comité de lecture
Année2018
LangueAnglais
Date17 Oct. 2018
Numéro45
Pagination26160-26168
Volume122
Titre de la revueThe Journal of Physical Chemistry C
ISSN1932-7447
Résumé en anglais

Second-order nonlinear optical molecular switches are systems displaying marked variations of their second harmonic generation (SHG) responses upon external stimulation. In this article, we combine a multiscale computational method and experimental characterizations to provide a full description of the SHG responses of molecular switches built from the association of the indolino-oxazolidine unit to a bithiophene donor. In chloroform solutions, the addition of trifluoroacetic acid triggers the switching from a neutral closed form to a protonated open form, making an ion pair with the trifluoroacetate counterion and induces a strong enhancement of the SHG responses. The numerical simulations (i) evidence how the large and rapid thermally induced geometrical fluctuations lead to broadening the SHG responses distributions, making even difficult the determination of their sign, (ii) rationalize the variations of these responses as a function of the closure/opening of the oxazolidine ring and of the nature of its chemical substitution, and (iii) call into question common assumptions employed when analyzing the experimental SHG responses.

URL de la noticehttp://okina.univ-angers.fr/publications/ua18553
DOI10.1021/acs.jpcc.8b08697
Lien vers le document

https://pubs.acs.org/doi/10.1021/acs.jpcc.8b08697

Titre abrégéJ. Phys. Chem. C