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Investigation of deuterated FOX-7 - changes in structural behavior and energetic characteristics after deuteration
Thomas M Klapötke1, Burkhard Krumm1, Jasmin T Lechner1
1Department of Chemistry, Ludwig Maximilian University of Munich, Butenandtstr. 5-13(D), Munich 81377, Germany. tmk@cup.uni-muenchen.de.
Abstract:
For an investigation of the deuterium effect of N-deuterated compounds on the structural and thermal behavior, 1,1-diamino-2,2-dinitroethylene (FOX-7) was deuterated by deprotonation in heavy water and subsequent acidification with D2SO4. The status of deuteration progress was monitored by infrared spectra analysis and the deuteration level was determined via1H q-NMR. The properties of FOX-7-D4 were studied by single crystal X-ray diffraction and differential thermal analysis. In addition, the activation energy of thermal decomposition was determined, and the heat of formation and zero-point energy were calculated.
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