Intramolecular charge transfer and electronic absorption and luminescence spectra of fluoroquinolinones
| Autor: | E. T. Karaseva, A. V. Polishchuk, V. E. Karasev, T. B. Emelina |
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| Rok vydání: | 2011 |
| Předmět: |
genetic structures
Chemistry Charge density Molecular orbital diagram General Chemistry Photochemistry Acceptor eye diseases Photoexcitation Condensed Matter::Materials Science Atomic orbital Non-bonding orbital Intramolecular force Molecular orbital Astrophysics::Earth and Planetary Astrophysics Physics::Chemical Physics |
| Zdroj: | Russian Journal of General Chemistry. 81:725-731 |
| ISSN: | 1608-3350 1070-3632 |
| DOI: | 10.1134/s1070363211040189 |
| Popis: | TD-DFT study on the effect of donor and acceptor substituents on molecular orbital localization and charge distribution in fluoroquinolinone molecules showed that their photoexcitation is accompanied by electron density redistribution over particular fragments. Depending on the protolytic form, frontier molecular orbitals are localized on different fragments, whereas variation of substituents weakly affects localization of these orbitals. |
| Databáze: | OpenAIRE |
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