Crystal structure of the ammonium salt of 5-dinitrochloromethyltetrazole

Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles

“…NMR spectra were recorded at 298 K on Bruker AMX500 or Varian VNMRS-600s spectrometers in (CD 3 ) 2 CO or D 2 O solutions in standard 5 mm glass tubes. Chemical shifts are given relative to neat tetramethylsilane ( 1 H, 13 C) or neat CH 3 NO 2 ( 14 N, 15 N); br = broad; sh = shoulder; s = singlet. Raman spectra were recorded at ambient temperatures in Pyrex glass tubes in the range 4000−80 cm −1 on a Bruker Equinox 55 FT-RA spectrometer using a Nd:YAG laser at 1064 nm or a Cary 83 spectrometer using an Ar laser at 488 nm.…”

“…1 H NMR (acetone-d 6 , ppm) δ 4.15 s (CH 2 CN 4 H); 6.2 br s (CO 2 H) and (CN 4 H). 13 C NMR (acetone-d 6 , ppm) δ 30.2 s (CH 2 CO 2 H); 151.7 s (CN 4 H); 169.5 s (CO 2 H). 14 N NMR (acetone-d 6 , ppm) δ −12, τ 1/2 = 800 Hz (CN 4 H).…”

“…Because of the reported instability of trinitroacetonitrile, 25 no efforts were made to isolate the neat compound. 13 Synthesis of 5-(Trinitromethyl)-2H-tetrazole (4). Method 1.…”

“…1 H NMR (D 2 O, ppm) δ 7.56 q, 1 J( 1 H 14 N) = 59.4 Hz (NH 4 ). 13 Synthesis of Guanidinium, Rubidium, and Cesium 5-(Trinitromethyl)tetrazolates (6−8). A solution of (5-trinitromethyl)-2H-tetrazole (0.438 g, 2.00 mmol) in acetone (5 mL) was added to a stirred suspension of guanidinium, rubidium, or cesium carbonate (5.0 mmol) in acetone (5 mL).…”

Energetic mono and dibasic 5-dinitromethyltetrazolates: synthesis, properties, and particle processing

“…There are only two known structurally characterized dinitromethyltetrazolate compounds-one monoanion, a methylated dinitromethyltetrazole 17 and one dianion, dinitromethyltetrazole dihydrazine monohydrate. 12b Both structures were characterized at room temperature and direct comparisons are therefore difficult.…”