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Synthesis and Comprehensive Characterization of Hydrated Alkaline Earth Metal Salts of 5‐Amino‐1 H ‐tetrazole

2011; Wiley; Volume: 637; Issue: 11 Linguagem: Inglês

10.1002/zaac.201100193

1521-3749

C.M. Sabate, Erwann Jeanneau, Jörg Stierstorfer,

Thermal and Kinetic Analysis

Abstract Hydrated alkaline earth metal salts of 5‐amino‐1 H ‐tetrazole ( B ) were synthesized by reaction of B with a suitable metal hydroxide in water. All compounds were fully characterized by analytical (elemental analysis and mass spectrometry) and spectroscopic (IR, Raman, 1 H and 13 C NMR) methods. Additionally, the crystal structures of the magnesium [ 1· 4H 2 O: triclinic, P $\bar {1}$ , a = 5.940(1) Å, b = 7.326(1) Å, c = 7.383(1) Å, α = 106.10(1)°, β = 106.51(1)°, γ = 111.85(1)°, V = 258.0(1) Å 3 ], calcium [ 2· 6H 2 O: monoclinic, P 2 1 / m , a = 6.904(1) Å, b = 6.828(1) Å, c = 10.952(2) Å, β = 94.50(2)°, V = 514.6(1) Å 3 ], and strontium [ 3· 6H 2 O: orthorhombic, Cmcm , a = 6.987(1) Å, b = 28.394(2) Å, c = 7.007(1) Å, V = 1390.3(2) Å 3 ] were determined by low temperature X‐ray diffraction. Additionally, the (gas phase) structure of the 5‐amino‐1 H ‐tetrazole anion ([ B ] – ) was also studied by natural bond orbital (NBO) analysis [B3LYP/6‐31+G(d,p)]. Lastly, standard tests were used to determine the sensitivity towards impact, friction, and electrostatic discharge of the compounds and the thermal stability was assessed by differential scanning calorimetry (DSC) analysis.