How Dimerization Through a Spiro Junction Modifies the Nonlinear Optical Properties of a Push–Pull Organic Dye: Insights from Theory and Hyper-Rayleigh Scattering

Frédéric Castet, Timothée Lerychard, Kornelia Pielak, György Szalóki, Clément Dalinot, Philippe Leriche, Lionel Sanguinet, Benoît Champagne, Vincent Rodriguez

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

The second-order nonlinear optical (NLO) properties of a push–pull monomer, as well as of its dimer composed of two monomeric units connected through a non-conjugated spiro junction, are investigated by means of hyper-Rayleigh scattering (HRS) and quantum chemical calculations. It is shown that dimerization to form a molecule with an orthogonal geometry enhances the first hyperpolarizability by circa 20 % and induces a decrease of the dipolar character of the HRS response. Theoretical calculations correlate well with experimental measurements and allow an in-depth rationalization of the impact of the spiro linkage on the NLO properties through a detailed analysis of the relevant electronic excited states.
langue originaleAnglais
Pages (de - à)93-101
Nombre de pages9
journalChemPhotoChem
Volume1
Numéro de publication3
Les DOIs
Etat de la publicationPublié - 2017

    Empreinte digitale

Contient cette citation