1. Interpretation of vibrational spectra of a closed form of indoline spirophenanthroxazine
- Author
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V. V. Gromak, I. Yu. Sychev, Yu. D. Khamchukov, L. L. Gladkov, and A. V. Lyubimov
- Subjects
Range (particle radiation) ,Materials science ,Molecular physics ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,Interpretation (model theory) ,chemistry.chemical_compound ,Photochromism ,symbols.namesake ,chemistry ,Excited state ,Indoline ,symbols ,Molecule ,Merocyanine ,Physics::Chemical Physics ,Raman spectroscopy - Abstract
We have measured IR and Raman spectra of molecules of a closed form of the photochromic compound indolinespirophenanthroxazine. Using the density-functional method, we have optimized the structures of the closed and open forms of this molecule and calculated its normal vibrations. Based on these calculations, we propose an interpretation of the obtained vibrational spectra. We have determined the spectral range of manifestation, 700–900 cm−1, and have found wavenumbers of normal vibrations through which the spiro structure of the indolinespirophenanthroxazine molecule in an excited state is likely to be rearranged into a merocyanine structure.
- Published
- 2014
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