Theoretical analysis of the structure of excited electronic states, Raman, and resonance Raman spectra of indole in the isolated state and aqueous solution
| Autor: | V. I. Baranov, K. V. Berezin, T. G. Burova, M. N. Nurlygayanova, G. N. Ten, A. A. Yakovleva |
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| Rok vydání: | 2012 |
| Předmět: |
Indole test
Materials science Aqueous solution Hydrogen bond Anharmonicity Resonance Atomic and Molecular Physics and Optics Spectral line Electronic Optical and Magnetic Materials symbols.namesake symbols Physical chemistry Physics::Atomic Physics Coherent anti-Stokes Raman spectroscopy Physics::Chemical Physics Raman spectroscopy |
| Zdroj: | Optics and Spectroscopy. 113:487-494 |
| ISSN: | 1562-6911 0030-400X |
| DOI: | 10.1134/s0030400x12090160 |
| Popis: | The structure of the first excited electronic states of indole has been calculated for the isolated state and aqueous solution. The vibrational spectra of isolated indole have been calculated by the DFT method in the harmonic and anharmonic approximations. The resonance Raman spectra of indole have been calculated quantum mechanically in the Herzberg-Teller approximation. The effect of hydrogen bonds on the structure and vibrational (Raman and resonance Raman) spectra of indole has been analyzed. |
| Databáze: | OpenAIRE |
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