Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF – a high-energy-density material

• DOI: 10.1039/d0ce00639d
• Publication Date: 2020-07-09T15:03:50Z
• Authors: Victor P. Zelenov; Nikita M. Barabos...; Dmitry V. Khakimov; Nikita V. Muravyev; Dmitry B. Meerov; Ivan A. Troyan; Tatyana S. Pivina; Alexandr V. Dzyab...; Ivan V. Fedyanin
• Keywords: Cocrystal; Tetrazine

A computer simulation of cocrystal structures [1,2,5]oxadiazolo[3,4-<italic>e</italic>][1,2,3,4]tetrazine 4,6-dioxide (FTDO) with benzotrifuroxan (BTF) in ratios (3–1 : 1) was performed. Theoretically and experimentally shown: a (3 is formed.