Investigation of deuterated FOX-7-changes in structural behavior and energetic characteristics after deuteration under ambient conditions

Klapötke, Thomas M.; Krumm, Burkhard; Lechner, Jasmin T. und Stierstorfer, Jörg (2022): Investigation of deuterated FOX-7-changes in structural behavior and energetic characteristics after deuteration under ambient conditions. In: Dalton Transactions, Vol. 51, No. 15: pp. 5788-5791

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 via(1)H q-NMR. The properties of FOX-7-D-4 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.

• Item Type: Journal article
• Faculties: Chemistry and Pharmacy > Department of Chemistry
• Subjects: 500 Science > 540 Chemistry
• ISSN: 1477-9226
• Language: English