Interpretation of vibrational spectra of a closed form of indoline spirophenanthroxazine

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 cal...

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Bibliographic Details
Published in:Optics and spectroscopy 2014, Vol.116 (1), p.47-51
Main Authors: Khamchukov, Yu. D., Gladkov, L. L., Gromak, V. V., Sychev, I. Yu, Lyubimov, A. V.
Format: Article
Language:English
Subjects:
Condensed-Matter Spectroscopy
Lasers
Optical Devices
Optics
Photonics
Physics
Physics and Astronomy
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Summary: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.
ISSN:0030-400X
1562-6911
DOI:10.1134/S0030400X14010093