Studies on lead-free initiators: synthesis, characterization and performance evaluation of transition metal complexes of carbohydrazide

Talawar, M. B.; Agrawal, Atul; Chhabra, J. S.; Asthana, S. N.

doi:10.1016/j.jhazmat.2004.07.001

Cited by 48 publications

(39 citation statements)

References 4 publications

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“…It may coordinate with many metal ions as monodentate or multidentate [7][8][9][10]. Because it possesses relatively strong reduction ability, it has been used to design a variety of energetic coordination compounds with explosive properties.…”

Section: Introductionmentioning

confidence: 99%

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The preparation, molecular structure, and theoretical study of carbohydrazide (CHZ)

Zhang

2006

Struct Chem

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Carbohydrazide is prepared by reacting dimethyl carbonate with hydrazine hydrate. Its single crystal has been cultured with slow evaporation method. Its molecular structure and crystal structure have been determined by X-ray single crystal diffraction technique. The obtained results shows that the crystal belongs to Crystal system of Monoclinic, space group P2(1)/n with crystal parameters of a = 3.725(1) Å, b = 8.834(2) Å, c = 11.96(3) Å, β = 91.97(1) • , V = 392.23(2) Å 3 , Z = 4, D c = 1.522 g/cm 3 , µ = 0.128 mm −1 , F0 0 0) = 192. Based on the crystal data, we have also carried quantum chemistry calculations on the title compound using the B3LYP and MP2 method with cc-pVTZ basis set. The calculation results further demonstrate the molecular structure of title compound and its coordination properties.

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Section: Introductionmentioning

confidence: 99%

“…Because it possesses relatively strong reduction ability, it has been used to design a variety of energetic coordination compounds with explosive properties. This kind of coordination compounds of carbohydrazide arouses great interest especially in recent years in primary explosives, propellants, and high explosives [7][8][9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

The preparation, molecular structure, and theoretical study of carbohydrazide (CHZ)

Zhang

2006

Struct Chem

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“…[6][7][8][9][10][11] These materials mostly combine facile syntheses, good thermal stabilities as well as energetic properties comparable to that of the prominent primary explosive lead azide, which suffered from its high toxicity. Nitrogen-rich heterocycles and chain ligands of hydrazine derivative with several lone-pair electrons,such as 5-nitrotetrazole, [12][13][14] 1,5-diaminotetrazole, [15][16][17] 3-azido-1,2,4-triazole, [18][19][20] carbohydrazide (CHZ) [21,22] and hydrazine, [23] are typically used for the synthesis of energetic complexes.…”

Section: Introductionmentioning

confidence: 99%

Chelating Energetic Material Nickel Semicarbazide 2,4,6‐Trinitroresorcinol: Synthesis, Structure, and Thermal Behavior

Wang

Tong

et al. 2015

Zeitschrift anorg allge chemie

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Abstract. Through a one-pot reaction of NiCO 3 ·2Ni(OH) 2 ·H 2 O, aminourea hydrochloride (SCZ·HCl) and 2,4,6-trinitroresorcinol (TNR), a halogen-free and lead-free chelating energetic material (CEM) [Ni(SCZ) 3 ]TNR was synthesized. We confirmed the structure of [Ni(SCZ) 3 ]TNR by infrared spectroscopy, X-ray diffraction, and elemental analysis. The complex is triclinic with P1(2)/n space group. Cell parameters are: a = 1.04008(17) nm, b = 1.3719(2) nm, c = 1.4897(2) nm, V = 2.0337(6) nm 3 , Z = 4. The central nickel atom is six-coordinate with three oxygen atoms of carbonyl groups and three terminal nitrogen atoms of the hydrazine groups from three SCZs to form a distorted octahedron. Differential scanning calorimetry and

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“…Lead styphnate (1), lead azide (3), (5-cyanotetrazolato-N 2 ) pentaammine cobalt perchlorate (4), and tris(carbohydrazide) zinc perchlorate (5) are widely used primary explosives and hexa(1,5-diaminotetrazole) cobalt perchlorate (2) is a very promising initiator composition, so the structures and properties of these compounds have been studied in detail [13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28]; their chemical structures are shown in Fig. 1.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study of the correlation between electrostatic hazard and electronic structure for some typical primary explosives

Huang

Zhang

et al. 2015

J Mol Model

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The electronic structures of lead styphnate, hexa(1,5-diaminotetrazole) cobalt perchlorate, lead azide, (5-cyanotetrazolato-N (2)) pentaammine cobalt perchlorate, and tris(carbohydrazide) zinc perchlorate were investigated via density functional theory. The results obtained reveal that the electrostatic spark sensitivities of these primary explosives are related to their electrostatic potentials and energy gaps. Highly sensitive primary explosives show large cell electrostatic potentials per unit volume and small energy gaps. Moreover, the energy levels of the frontier molecular orbitals play an important role in triboelectrification between an explosive and a flume. The lower the energy level of the lowest unoccupied molecular orbital of the primary explosive, the more easily it can accept electrons and accumulate negative charge.

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Studies on lead-free initiators: synthesis, characterization and performance evaluation of transition metal complexes of carbohydrazide

Cited by 48 publications

References 4 publications

The preparation, molecular structure, and theoretical study of carbohydrazide (CHZ)

The preparation, molecular structure, and theoretical study of carbohydrazide (CHZ)

Chelating Energetic Material Nickel Semicarbazide 2,4,6‐Trinitroresorcinol: Synthesis, Structure, and Thermal Behavior

Theoretical study of the correlation between electrostatic hazard and electronic structure for some typical primary explosives

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