Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF – a high-energy-density material
Victor P. Zelenov, Nikita М. Baraboshkin, Dmitry V. Khakimov, Nikita V. Muravyev, Dmitry B. Meerov, I. A. Troyan, T. S. Pivina, A. V. Dzyabchenko, Ivan V. Fedyanin
Abstract
A computer simulation of cocrystal structures of [1,2,5]oxadiazolo[3,4-<italic>e</italic>][1,2,3,4]tetrazine 4,6-dioxide (FTDO) with benzotrifuroxan (BTF) in ratios of (3–1 : 1) was performed. Theoretically and experimentally was shown: a (3 : 1) cocrystal is formed.
Topics & Concepts
CocrystalTetrazineMaterials scienceChemistryMoleculeOrganic chemistryHydrogen bondEnergetic Materials and CombustionCrystallography and molecular interactionsThermal and Kinetic Analysis