Journal article
Single-crystal, polarized raman-scattering study of the molecular and lattice vibrations for the energetic material cyclotetramethylenetetranitramine, β-polymorph (β-HMX)
Crystal growth & design, Vol.5(6), pp.2060-2065
2005
DOI: 10.1021/cg050219v
Abstract
The single-crystal polarized Raman spectra for cyclotetramethylenetetranitramine, β-polymorph (β-HMX), are reported over the region of 10 to 3150 cm-1. While the agreement with previous Raman studies is quite good, a consistent interpretation of the Raman spectra is provided through assignment of fundamental modes, overtones, and combination bands. This affords the first assignment of all six Raman-active optical phonons of β-HMX. It was found that three A8 symmetry librations are accidentally degenerate with three Bg optical phonons. The importance of these phonons for coupling with "doorway" Raman-active modes of β-HMX is discussed in relation to proposed vibrational mechanisms for the initiation of detonation. © 2005 American Chemical Society.
Details
- Title: Subtitle
- Single-crystal, polarized raman-scattering study of the molecular and lattice vibrations for the energetic material cyclotetramethylenetetranitramine, β-polymorph (β-HMX)
- Creators
- Lewis L Stevens - University of Nebraska–LincolnJames J Haycraft - University of Nebraska–LincolnCraig J Eckhardt - University of Nebraska–Lincoln
- Resource Type
- Journal article
- Publication Details
- Crystal growth & design, Vol.5(6), pp.2060-2065
- Publisher
- American Chemical Society
- DOI
- 10.1021/cg050219v
- ISSN
- 1528-7483
- eISSN
- 1528-7505
- Language
- English
- Date published
- 2005
- Academic Unit
- Pharmaceutical Sciences and Experimental Therapeutics
- Record Identifier
- 9984366014402771
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