Second-order nonlinear optical properties of Λ -shaped pyrazine derivatives
| Autor: | Adrien Gillet, Frédéric Castet, Aurélie Plaquet, Vincent Rodriguez, Filip Bureš, Benoît Champagne |
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| Přispěvatelé: | Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Nonlinear optics
Pyrazine General Chemical Engineering Hyperpolarizability Hyper-Rayleigh scattering 02 engineering and technology First hyperpolarizability 010402 general chemistry 01 natural sciences Molecular physics chemistry.chemical_compound [CHIM]Chemical Sciences Physics Kleinman symmetry Scattering Process Chemistry and Technology 021001 nanoscience & nanotechnology Acceptor Symmetry (physics) 3. Good health 0104 chemical sciences Dipole chemistry Pyrazines Density functional theory 0210 nano-technology |
| Zdroj: | Dyes and Pigments Dyes and Pigments, Elsevier, 2021, 184, pp.108850-. ⟨10.1016/j.dyepig.2020.108850⟩ Castet, F, Gillet, A, Bureš, F, Plaquet, A, Rodriguez, V & Champagne, B 2021, ' Second-order nonlinear optical properties of Λ-shaped pyrazine derivatives ', Dyes and pigments, vol. 184, 108850 . https://doi.org/10.1016/j.dyepig.2020.108850 |
| ISSN: | 0143-7208 |
| DOI: | 10.1016/j.dyepig.2020.108850⟩ |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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