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

TitreHow Dimerization Through a Spiro Junction Modifies the Nonlinear Optical Properties of a Push-Pull Organic Dye: Insights from Theory and Hyper-Rayleigh Scattering
Type de publicationArticle de revue
AuteurCastet, Frédéric, Lerychard, Timothée, Pielak, Kornelia, Szalóki, György, Dalinot, Clément, Leriche, Philippe, Sanguinet, Lionel , Champagne, Benoît, Rodriguez, Vincent
EditeurJohn Wiley and Sons Inc.
TypeArticle scientifique dans une revue à comité de lecture
Année2017
LangueAnglais
DateMars 2017
Numéro3
Pagination93-101
Volume1
Titre de la revueChemPhotoChem
Résumé en anglais

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.

URL de la noticehttp://okina.univ-angers.fr/publications/ua16601
DOI10.1002/cptc.201600039
Lien vers le document

http://onlinelibrary.wiley.com/doi/10.1002/cptc.201600039/abstract;jsess...

Titre abrégéChemPhotoChem