Studies on the decomposition chemistry of triaminoguanidine azide and guanidine nitrate

Damse, R.S.

doi:10.1016/j.jhazmat.2009.07.145

Cited by 18 publications

(6 citation statements)

References 4 publications

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“…(6) TAGZ has been found to have an h50% of ca. 34 J . (7) Liquid and gaseous HN 3 are known to be highly sensitive, although no sensitivity studies on crystalline HN 3 are known.…”

Section: Resultsmentioning

confidence: 99%

A Pathway to the Athermal Impact Initiation of Energetic Azides

et al. 2018

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Energetic materials (explosives, propellants, and pyrotechnics) are used in a broad range of public and private sector applications. The design of novel, safe materials is therefore of critical importance. At present, physical mechanisms able to rationalize the impact sensitivity properties of energetic materials remain limited. Investigation therefore has required lengthy synthesis and experimental testing. On the basis of knowledge of the effects of mechanical impact, an ab initio model is developed to rationalize and describe the impact sensitivity of a series of crystalline energetic azide materials. It is found that electronic excitation of the azido anion is sufficient to permit bond rupture and therefore offers a plausible mechanism for initiation of these materials. The athermal excitation can be achieved through consideration of nonadiabatic vibronic processes. Across the series of azides studied here, the electronic structure of the azido anion is found to remain largely constant. By considering only the relative rates of vibrational energy transfer within the crystalline materials, it is found that a direct correlation exists between the relative impact sensitivity and the rate of energy up-conversion. Thus, the present contribution demonstrates a fully ab initio method to describe the athermal initiation of ideal, crystalline energetic materials and predict their relative sensitivity. Without the need for any experimental input beyond a crystal structure, this method therefore offers a means to selectively design novel materials for targeted application.

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“…(6) TAGZ has been found to have an h50% of ca. 34 J . (7) Liquid and gaseous HN 3 are known to be highly sensitive, although no sensitivity studies on crystalline HN 3 are known.…”

Section: Resultsmentioning

confidence: 99%

A Pathway to the Athermal Impact Initiation of Energetic Azides

et al. 2018

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“…The structure of this complex is square-pyramidal, in which a chlorine ligand is located in the axial position, similar to the structure of the Cu(DAGH)Cl 3 complex (Figure S5). The Cu(DAGH)Cl 3 complex crystallizes in a monoclinic space group with symmetry of P 21/ n ( Z = 2) . In comparison, the reported six-coordinated TAG-Cu II complex, prepared in concentrated HCl (using CuCl 2 ·2H 2 O as the starting material), has the formula [Cu(TAGH 2 )Cl 3 ]Cl·H 2 O and crystallizes in the orthorhombic space group, with unit cell parameters of a = 10.070(2) Å, b = 11.603(2) Å, c = 18.390(4) Å, and V = 2148.7(7) Å 3 in Pbca symmetry ( Z = 8 and D calc = 2.04 g·cm –3 ) .…”

Section: Resultsmentioning

confidence: 99%

“…Several studies have been reported regarding the preparation of diaminoguanidine (DAG) copper complexes, such as Cu(DAG)(NO 3 ) 2 , Cu(DAG) 2 (NO 3 ) 2 , and Cu(DAG) 2 (NO 3 ) 2 ·HNO 3 . In the latter complex, both the neutral DAG and DAG + cation are bound to Cu, the crystal structure of which is similar to that of [Cu(DAGH)Cl 3 ]. − Despite all of this prolific activity, the energetic properties of guanidine-based metal complexes were never reported.…”

Section: Introductionmentioning

confidence: 99%

Formation of Highly Thermostable Copper-Containing Energetic Coordination Polymers Based on Oxidized Triaminoguanidine

Yan

Cohen

Petrutik

et al. 2016

ACS Appl. Mater. Interfaces

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A series of novel highly thermostable energetic coordination polymers (ECPs), with promising mechanical sensitivity properties, were prepared by an in situ oxidation-coordination reaction of triaminoguanidine hydrochloride with copper nitrate in aqueous solution. The molecular structures and properties of these ECPs could be tuned, by varying the ratios and concentrations of the starting materials. Our ECPs exhibit remarkable thermostability (>390 °C) and very low sensitivity to impact (Im > 98 J). The best-performing material (ECP-5) has a calculated detonation velocity of 8969 m·s(-1) and a decomposition peak temperature of 396.9 °C, demonstrating an outstanding balance between two inherently contradicting properties: high detonation performance and very low sensitivity.

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“…Energetic materials, upon reacting, can release energy in the form of heat, gas expansion and shock waves. For a long time, they have been used as explosives, propellants (Damse, 2009) and fireworks. At present, their application has become diverse and has also expanded into the medical sector.…”

Section: Introductionmentioning

confidence: 99%

Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate

Kumasaki¹,

Gontani²,

Mori³

et al. 2021

Acta Crystallogr C

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The molecular and crystal structure of 1H-1,2,4-triazolium perchlorate, C2H4N3 +·ClO4 −, was determined as detailed crystallographic data had not been available previously. The structure has monoclinic (P21/m) symmetry. It is of interest in the field of energetic compounds because nitrogen-rich azoles are the backbone of high-density energetic compounds, and salt-based energetic materials can exhibit preferential energy-release behaviour. The bond angles of the 1,2,4-triazolium cation in this study were similar to those of a cationic triazole ring reported previously and were different from those of the neutral triazole ring. This study contributes to the available data that can be used to analyse the relationship between the structures and properties of energetic materials.

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Studies on the decomposition chemistry of triaminoguanidine azide and guanidine nitrate

Cited by 18 publications

References 4 publications

A Pathway to the Athermal Impact Initiation of Energetic Azides

A Pathway to the Athermal Impact Initiation of Energetic Azides

Formation of Highly Thermostable Copper-Containing Energetic Coordination Polymers Based on Oxidized Triaminoguanidine

Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate

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