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Résumé
The linear and nonlinear optical (NLO) properties of a series of Λ-shaped derivatives containing a 4,5-dicyanopyrazine acceptor unit, N,N-dimethylamino donor groups and systematically enlarged π-conjugated linkers are investigated by means of UV/Visible and Hyper-Rayleigh scattering spectroscopies. Density functional theory calculations are also carried out to rationalize the magnitude and symmetry of the NLO responses. The results demonstrate that these compounds possess two low-lying excited electronic states close to each other in energy, which are accessible through one-photon optical transitions respectively polarized perpendicular and parallel to the two-fold molecular axis. These two states contribute additively to the first hyperpolarizability, which exhibits a dominant dipolar character. We also show that the NLO responses significantly deviate from Kleinman's index permutation symmetry.
langue originale | Anglais |
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Numéro d'article | 108850 |
journal | Dyes and pigments |
Volume | 184 |
Les DOIs | |
Etat de la publication | Publié - 1 janv. 2021 |
Empreinte digitale
Examiner les sujets de recherche de « Second-order nonlinear optical properties of Λ-shaped pyrazine derivatives ». Ensemble, ils forment une empreinte digitale unique.Projets
- 1 Terminé
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CÉCI – Consortium des Équipements de Calcul Intensif
Champagne, B., Lazzaroni, R., Geuzaine , C., Chatelain, P. & Knaepen, B.
1/01/18 → 31/12/22
Projet: Recherche
Équipement
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Plateforme Technologique Calcul Intensif
Benoît Champagne (!!Manager)
Plateforme technologique Calcul intensifEquipement/installations: Plateforme technolgique