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Synthesis and Calculation of Properties of N‐Difluoroaminoazoles, the Novel Type of Energetic Materials
Author(s) -
Dalinger Igor L.,
Vinogradov Vasilii M.,
Shevelev Sv’yatoslav A.,
Kuz’min Vladimir S.,
Arnautova Elena A.,
Pivina Tat’yana S.
Publication year - 1998
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/(sici)1521-4087(199808)23:4<212::aid-prep212>3.0.co;2-y
Subject(s) - chemistry , thermostability , detonation , standard enthalpy of formation , energy density , medicinal chemistry , crystallography , polymer chemistry , physics , organic chemistry , explosive material , enzyme , theoretical physics
A novel class of energetic materials, N‐difluoroaminonitroazoles was synthesized. One molecule of these compounds contains simultaneously a nitro group and difluoroamine one. A method of synthesizing N‐difluoroaminonitroazoles incorporates the interaction of N‐unsubstituted nitroazoles with O‐fluorosulfonyl‐N,N‐difluorohydroxylamine (F 2 NOSO 2 F) in the presence of bases. To estimate possible prospects of these compounds, energy content, molecular crystal density, some parameters of detonation and combustion were calculated using some well‐known methods of computational chemistry, as well as some of our original schemes. In addition, thermostability (by the DTA method) and density were identified experimentally for a cross‐section row of the studied compounds. The reasons for relatively low stability of this type of substances were given.