Single crystal Raman spectrum of the external phonons in 5-bromotetrazole

The six Raman active external phonons in 5-bromotetrazole have been assigned by observing four different Raman tensor elements, a(ca)c, a(cb)c, a(ba)c, and a(bb)c. In particular, the librational and translational phonons have been identified and approximate normal modes have been described for them....

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Bibliographic Details
Published in:The Journal of chemical physics 1973-01, Vol.58 (12), p.5534-5539
Main Author: Baglin, F. G.
Format: Article
Language:English
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Summary:The six Raman active external phonons in 5-bromotetrazole have been assigned by observing four different Raman tensor elements, a(ca)c, a(cb)c, a(ba)c, and a(bb)c. In particular, the librational and translational phonons have been identified and approximate normal modes have been described for them. These results are compared to earlier work on L-alanine and imidazole single crystals. No disorder phenomena were observed in 5-bromotetrazole as in L-alanine. Harmonic force constant calculations confirm the structural prediction that, at K̄=0, no hydrogen-bond influences should be exerted on the external phonon frequencies. To our knowledge this work represents the first unambiguous single crystal Raman study of a hydrogen-bonded ring compound.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1679176