Calculation of the Structure and Properties of Optical Nonlinear Fluorine-Containing Chromophores
| Autor: | E. V. Polunin, A. A. Safonov, M. S. Kitai, Victor I. Sokolov, E. A. Rykova |
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| Rok vydání: | 2020 |
| Předmět: |
Physics::Biological Physics
Materials science Absorption spectroscopy 010401 analytical chemistry Hyperpolarizability 02 engineering and technology Chromophore 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Acceptor Waveguide (optics) Molecular physics 0104 chemical sciences Dipole Physics::Atomic and Molecular Clusters Molecule Physics::Atomic Physics Physics::Chemical Physics 0210 nano-technology Mulliken population analysis Spectroscopy |
| Zdroj: | Journal of Applied Spectroscopy. 87:401-406 |
| ISSN: | 1573-8647 0021-9037 |
| Popis: | Possible modifications of chromophore structures with nonlinear optical properties by bonding F atoms and F-containing groups to the acceptor site of the molecules are considered. Quantum chemical calculations of dipole moments and first hyperpolarizability were performed for several nonlinear chromophores based on N-ethyl- N-(2-hydroxyethyl)-4-phenylazoaniline and modified by the addition of F atoms and F-containing groups to the acceptor site. Positions of maxima in the electronic absorption spectrum and the Mulliken charges on the atoms are found. It is shown that addition of F atoms and F-containing groups to the chromophore acceptor site changes (increases) the efficiency parameter, defined as the product of the dipole moment and the first hyperpolarizability. The main parameters of a waveguide modulator made of an electro-optical polymer composite with F-containing chromophores embedded in it are estimated. |
| Databáze: | OpenAIRE |
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