Journal article
Single-crystal, polarized, Raman scattering study of the molecularand lattice vibrations for the energetic material cyclotrimethylenetrinitramine
Journal of applied physics, Vol.100(5), pp.053508-053508-9
09/07/2006
DOI: 10.1063/1.2234799
Abstract
The single-crystal, polarized, Raman spectra for cyclotrimethylene trinitramine (RDX) have been studied at room temperature and pressure over the region of
5
-
3400
cm
−
1
. While the observed Raman bands agree well with a previous Raman study, this work provides a consistent interpretation of the Raman spectra by assignment of fundamental modes, overtones, and combination bands. A total of 56 internal vibrations were observed, 36 of which were labeled as fundamental molecular vibrations. In addition, all 24 lattice optical phonons are identified. All six possible polarizations were probed to obtain the
A
g
,
B
1
g
,
B
2
g
, and
B
3
g
symmetry modes for both the lattice and molecular modes. Finally, the importance of these phonons for coupling with "doorway" Raman-active modes of RDX is discussed in relation to proposed mechanisms for detonation initiation.
Details
- Title: Subtitle
- Single-crystal, polarized, Raman scattering study of the molecularand lattice vibrations for the energetic material cyclotrimethylenetrinitramine
- Creators
- James Haycraft - University of Nebraska–LincolnLewis Stevens - University of Nebraska–LincolnCraig Eckhardt - University of Nebraska–Lincoln
- Resource Type
- Journal article
- Publication Details
- Journal of applied physics, Vol.100(5), pp.053508-053508-9
- Publisher
- American Institute of Physics
- DOI
- 10.1063/1.2234799
- ISSN
- 0021-8979
- eISSN
- 1089-7550
- Grant note
- N000149810736 / ONR
- Date published
- 09/07/2006
- Academic Unit
- Pharmaceutical Sciences and Experimental Therapeutics
- Record Identifier
- 9984365878302771
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