Calcium 5-Nitriminotetrazolate—A Green Replacement for Lead Azide in Priming Charges
Source abstract
Abstract
The new energetic material calcium 5-nitriminotetrazolate (1) is presented. A facile preparative route in combination with an outstanding thermal as well as long-term stability, easy initiation, and low sensitivity make 1 an auspicious green alternative filler in priming charges.
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Research context
OpenAlex topics: Energetic Materials and Combustion · Thermal and Kinetic Analysis · Crystallography and molecular interactions
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
a Ludwig-Maximilian University Munich , Energetic Materials Research, Department of Chemistry and Biochemistry , Munich, Germany
b Center for Energetic Concepts Development , CECD, University of Maryland, UMD, Department of Mechanical Engineering , College Park, Maryland
References (25)
Show source-provided references
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16. Synthesis starting with 2: To 5-nitriminotetrazole (2.60 g, 20.0 mmol) dissolved in 20 mL of water, calcium hydroxide (1.48 g, 20.0 mmol) was added and the suspension was heated to 80°C and filtered off. The product was directly recrystallized from water and the crystals filtered off and washed with ethanol/ether to give 4.01 g (15.6 mmol, 78%) of calcium nitriminotetrazolate pentahydrate. DSC (5°C min−1,°C): 72–145°C (loss of crystal water), 360°C (explosion); IR (KBr, cm−1): = 3,532 (m), 3,360 (s), 3,309 (s), 2,167 (w), 1,647 (m), 1,622 (m), 1,559 (w), 1,540 (w), 1,474 (s), 1,412 (s), 1,338 (m), 1,299 (s), 1,158 (m), 1,135 (m), 1,087 (m), 1,042 (w), 1,026 (s), 883 (m), 835 (w), 754 (w), 722 (w), 610 (w), 566 (w); Raman (1,064 nm, 350 mW, 25°C, cm−1): = 1,487 (100), 1,431 (9), 1,406 (6), 1,220 (7), 1,160 (8), 1,138 (7), 1,091 (9), 1,047 (7), 1,029 (18), 727 (5), 611 (5), 406 (9); 1H NMR (DMSO-d 6 , 25°C, ppm) δ: 3.45 (s, H2O); 13C NMR (DMSO-d 6 , 25°C, ppm) δ: 164.4 (CN4); m/z (FAB−): 129.1 [HATNO2]−; EA (CaCH10N6O7, 258.2): calcd.: C 4.65, H 3.90, N 32.55; found: C 4.66, H 3.65, N 32.54; Sensitivities of the anhydrous compound: IS 5 J; FS > 112 N; ESD > 156 mJ.
17. Thermogravimetry was used to investigate the dehydration step and was performed using a Setaram TG-DTA 92–16 (http://www.setaram.com/) in a helium atmosphere with a heating rate of 1°C/min to a maximum temperature of 400°C. For the measurement, 4.521 mg of pulverized 1 in a “korund” pan was used .
18. Colorless rods, 0.15 × 0.13 × 0.05, triclinic, P-1, 6.5227(2), 7.4533(1), 10.380(2) Å, 74.371(2), 72.29(2), 74.660(2)°, 453.68(16) Å3, Z: 2, ρcalc: 1.890 g cm−3, μ: 0.729 mm−1, F(000): 268, λMoKα: 0.71073 Å, T: 200 K, τ (min–max): 3.8, 26.0°, Dataset (h; k; l): −5:8;−7:9;−9:12, Reflect. coll.: 2,373, Independ. refl.: 1,765, Rint = 0.019; Reflection obs. = 1,254, No. param.: 176, R 1 (obs): 0.0305, wR 2 (all data): 0.0665, S = 0.91, Resd. Dens. [e â−3]: −0.35, 0.45, Oxford Xcalibur3 CCD, solution: SIR-92, refinement: SHELXL-97, Absorpt. corr.: multiscan .
19. Crystallographic data for the structure(s) have been deposited with the Cambridge Crystallographic Data Centre. Copies of the data can be obtained free of charge on application to The Director, CCDC, 12 Union Road, Cambridge CB2 1EZ, UK (Fax: int.code_(1223)336–033; e-mail for inquiry: fileserv@ccdc.cam.ac.uk; e-mail for deposition: deposit-@ccdc.cam.ac.uk) .
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