Vibrational spectra of β-cyclotetramethylene tetranitramine and some of its isotopic isomers

Zafar Iqbal, Suryanarayana Bulusu, Joseph R. Autera

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54 Scopus citations

Abstract

The infrared and Raman spectra of the β-polymorph of cyclotetramethylene tetranitramine (commonly known as "HMX" in the explosives field) and its isotopic isomers, HMX-15NO2, HMX-15N(NO2), HMX-13C(50%), and HUX-d 8, have been recorded in the spectral region between 30 and 3500 cm-1. Single crystal polarized Raman measurements on β-HMX were also made in order to separate out modes of A g symmetry from those of B g symmetry. Sizable correlation field induced splitting of some of the (NO2) modes was observed. Probable assignments have been proposed for the complex internal vibrations of β-HMX based mainly on the observed isotopic shifts. The spectra of HMX and HMX-d8 in solutions of dimethyl sulfoxide and acetonitrile have also been recorded. The results indicate that the molecular conformation in solution is centrosymmetric and probably similar to that in the β-HMX crystal.

Original languageEnglish (US)
Pages (from-to)221-230
Number of pages10
JournalThe Journal of Chemical Physics
Volume60
Issue number1
DOIs
StatePublished - Jan 1 1974

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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