FTIR and FT-Raman spectra of 5-methyluracil (thymine) were recorded in the regions 400-4000 cm -1 and 50-4000 cm -1 , respectively. The observed wavenumbers were analysed and assigned to different normal modes of vibration of the molecule. Ab initio and density functional calculations were performed
FTIR and FT Raman Spectra of B6O
β Scribed by H. Werheit; U. Kuhlmann
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 216 KB
- Volume
- 133
- Category
- Article
- ISSN
- 0022-4596
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β¦ Synopsis
The IR active phonon spectrum of B 6 O is typical for the -rhombohedral boron structure group. The number of phonons corresponds exactly to that predicted by group theory. The phonon bands in the spectrum are weakly damped, indicating that the structure is largely undistorted. Contrary to the IR spectrum the FT Raman spectrum exhibits no narrow lines but considerably broadened bands. This leads to the conclusion that the strong optical excitation by the Nd : YAG laser with about 2 W irradiation power causes a considerable distortion of the structure by fluctuations in consequence of the interaction between optically excited electrons and intraicosahedral phonons.
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