Abstract
The single-crystal polarized Raman spectra for cyclotetramethylenetetranitramine, /3-polymorph (/3-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 Ag 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.
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