Influence of polarity of solvents on IR absorption and Raman spectra of ascorbic acid
| Наименование публикации | Influence of polarity of solvents on IR absorption and Raman spectra of ascorbic acid |
| Тип публикации | Статья |
| Библиографическое описание | S. A. Kutsenko, Y. S. Danyaeva, S. V. Maximova , "Influence of polarity of solvents on IR absorption and Raman spectra of ascorbic acid," Proc. SPIE 10716, Saratov Fall Meeting 2017: Optical Technologies in Biophysics and Medicine XIX, 1071622 (26 April 2018); doi: 10.1117/12.2314759 |
| Аннотация | The results of molecular modeling of IR and Raman spectra of ascorbic acid in polar and nonpolar solutions are presented. The optimized structural parameters, the total energy, the dipole moments, the IR and the Raman spectra have been investigated. The polarity of the solvent is taken into account by the polarizable continuum model. The vibrations of the structural groups of the molecule, which are most sensitive to the polarity of the solvent have been found. |
| Ключевые cлова | ascorbic acid, IR and Raman spectra, the polarity of the solvent. |
| Год публикации | 2018 |
| Автор(ы) |
Куценко Светлана Анатольевна
Даняева Юлия Сергеевна
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| Электронная копия публикации | - |