External Optic Phonons in Tetrazole

The laser Raman spectrum of polycrystalline tetrazole has been recorded at 300°K and at 95°K. The external optic phonon spectrum of tetrazole is shown to be consistent only with the P1 space group. High frequency shoulders have been observed on the three librational 0→1 transitions and have been ass...

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Bibliographic Details
Published in:The Journal of chemical physics 1972-01, Vol.56 (1), p.358-361
Main Author: Baglin, F. G.
Format: Article
Language:English
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Summary:The laser Raman spectrum of polycrystalline tetrazole has been recorded at 300°K and at 95°K. The external optic phonon spectrum of tetrazole is shown to be consistent only with the P1 space group. High frequency shoulders have been observed on the three librational 0→1 transitions and have been assigned as quasi LO phonons. Relative infrared band intensity ratios have been calculated from these shoulders and are in agreement with experimental results. The N··· N distance has been calculated as 2.85 ± 0.02 Å. The mean librational (torsional) displacements, harmonic force constants, and dipole derivatives have also been calculated. The three 0→1 phonons have been assigned by means of a linear lattice model.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1676873