Synthesis, Crystal Structure, and Properties of Energetic Copper(II) Complex based on 3,5-Dinitrobenzoic Acid and 1,5-Diaminotetrazole

Abstract

Energetic copper(II) complexes based on 3,5-dinitrobenzoic acid (HDNBA) and 1,5-diaminotetrazole (DAT), Cu(DNBA) 2 (H 2 O) 2 (1) and Cu(DAT) 2 (DNBA) 2 (2) were synthesized and characterized by elemental analysis, IR spectroscopy, single-crystal and powder X-ray diffraction. In both complexes, Cu II was coordinated to a plane tetragon, by four oxygen atoms from two DNBAions and two coordinated H 2 O molecules for 1, and by two oxygen atoms and two nitrogen atoms from different DNBAions and DAT ligands for 2. Differential scanning calorimetry (DSC) and thermogravimetry (TG) analyses were

Chemistry of 2,5-diaminotetrazole

“…10). The correct assignment could be made by the comparison with the 15 N shifts of 2-aminotetrazole, 1,5 diaminotetrazole and by the recording of a 15 N-1 H-HMBC spectrum. 10 The signals for the tetrazole nitrogen atoms are observed in the range of −15.8 ppm (N3) to −116.7 ppm (N1).…”

“…the energetic materials chemistry community. [13][14][15][16] It is synthetically available through at least four different reaction protocols (e.g. diazotization of diaminoguanidin, amination of 5-AT, oxidation of semicarbazide and reaction of hydrazine with cyanogen azide).…”

The solubilities of benzoic acid and its nitro-derivatives, 3-nitro and 3,5-dinitrobenzoic acids

“…Benzoic acid and its nitro-derivatives (3-nitrobenzoic acid and 3,5-dinitrobenzoic acid) are important intermediates in organic synthesis, [1][2][3][4] for example, in the production of the diagnostic drug amidotrizoic acid, a positive contrast agent for X-ray diagnosis (see Figure 1). As shown in Figure 2, amidotrizoic acid is obtained by reduction, iodination, and acetylation of 3,5-dinitrobenzoic acid.…”

Thermochemistry, Tautomerism, and Thermal Decomposition of 1,5-Diaminotetrazole: A High-Level ab Initio Study

“…Nitrogen-rich heterocyclic compounds are promising components of environmental friendly energetic compositions. − Among them, 1,5-diaminotetrazole (DAT, 1 ) is prominent due to its good thermal stability and high nitrogen content (∼84 wt %). − Besides that, DAT is widely used as a building block for a huge variety of novel high-energy compounds. − …”