10.1021/jacs.8b10200.s002
Amanda
F. Baxter
Amanda
F.
Baxter
Igor Martin
Igor
Martin
Karl O. Christe
Karl O.
Christe
Ralf Haiges
Ralf
Haiges
Formamidinium
Nitroformate: An Insensitive RDX Alternative
American Chemical Society
2018
single-crystal X-ray analysis
CH
research department
impact sensitivity testing
nitrogen-containing cations
performance
multinuclear NMR
Gaussian -4
Raman spectroscopy
IR
formamidinium salt
Formamidinium Nitroformate
thermochemical calculations
Insensitive RDX
detonation theory
2018-10-15 00:00:00
Dataset
https://acs.figshare.com/articles/dataset/Formamidinium_Nitroformate_An_Insensitive_RDX_Alternative/7258433
Five nitroformate
(trinitromethanide) salts featuring nitrogen-containing
cations were prepared. The salts were characterized by multinuclear
NMR, IR, and Raman spectroscopy, single-crystal X-ray analysis, differential
thermal analysis, and friction and impact sensitivity testing. These
experimental data are supplemented with thermochemical calculations
using the Gaussian-4 composite method, and the performance of these
energetic materials was calculated based on the Chapman–Jouguet
thermodynamic detonation theory. Out of the five compounds studied
by us, the formamidinium salt, [CH(NH<sub>2</sub>)<sub>2</sub>]<sup>+</sup>[C(NO<sub>2</sub>)<sub>3</sub>]<sup>−</sup>, is most
interesting. Its performance matches that of RDX (research department
explosive, cyclotrimethylenetrinitramine), while it is
much less sensitive to impact and friction and, therefore, might be
an excellent, less sensitive replacement for RDX.