Enthalpies of formation of triaminoguanidinium chloride, nitrate, and perchlorate

Matyushin, Yu. N.; Kon’kova, T. S.; Titova, K. V.; Rosolovskii, V. Ya.; Lebedev, Yu. A.

doi:10.1007/bf00949756

Cited by 6 publications

(4 citation statements)

References 1 publication

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“…All commercially available chemicals were of reagent grade and were used without further purification. Triaminoguanidine hydrochloride and H 5 saltag·HCl were prepared as reported. Caution!…”

Section: Methodsmentioning

confidence: 99%

A Spin-Frustrated Trinuclear Copper Complex Based on Triaminoguanidine with an Energetically Well-Separated Degenerate Ground State

et al. 2015

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We present the synthesis and crystal structure of the trinuclear copper complex [Cu3(saltag)(bpy)3]ClO4·3DMF [H5saltag = tris(2-hydroxybenzylidene)triaminoguanidine; bpy = 2,2'-bipyridine]. The complex crystallizes in the trigonal space group R3̅, with all copper ions being crystallographically equivalent. Analysis of the temperature dependence of the magnetic susceptibility shows that the triaminoguanidine ligand mediates very strong antiferromagnetic interactions (JCuCu = -324 cm(-1)). Detailed analysis of the magnetic susceptibility and magnetization data as well as X-band electron spin resonance spectra, all recorded on both powdered samples and single crystals, show indications of neither antisymmetric exchange nor symmetry lowering, thus indicating only a very small splitting of the degenerate S = (1)/2 ground state. These findings are corroborated by density functional theory calculations, which explain both the strong isotropic and negligible antisymmetric exchange interactions.

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Section: Methodsmentioning

confidence: 99%

A Spin-Frustrated Trinuclear Copper Complex Based on Triaminoguanidine with an Energetically Well-Separated Degenerate Ground State

et al. 2015

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“…Literature data for enthalpies of formation of TAGN (À50.2 kJ mol À1 or À12.0 kcal mol À1 [17]), triaminoguanidine, (241.0 kJ mol À1 or 57.6 kcal mol À1 [18]) and gaseous nitric acid (À135.06 kJ mol À1 or À32.28 kcal mol À1 [19]) were used for the calculation. The heat of fusion of TAGN is difficult to measure by DSC, since decomposition begins just after melting.…”

Section: Burning Behavior and Flame Structure Of Tagnmentioning

confidence: 99%

Combustion Mechanism of Triaminoguanidine Nitrate

Serushkin

Sinditskii

Egorshev

et al. 2013

Propellants Explo Pyrotec

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The combustion behavior of triaminoguanidine nitrate (TAGN) was investigated over a wide pressure range and a detailed combustion mechanism has been proposed. Temperature profiles in the TAGN combustion wave were measured with thin tungsten‐rhenium microthermocouples. It was shown that the surface temperature in combustion of TAGN as well as for other onium salts is controlled by the process of dissociation. The burning rate of TAGN is governed by processes in the condensed phase.

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“…Salts of nitric ([NO 3 ] − ) and dinitramide ([N(NO 2 ) 2 ] − ) acids with ammonium cations 1 , 7 ([NH 4 ] + ), hydrazinium 2 , 8 ([N 2 H 5 ] + ), guanidinium 3 , 9 ([GH] + ), aminoguanidinium 4 , 10 ([AGH] + ), and triaminoguanidinium 6 , 12 ([TAGH] + ) with reliably established experimental values − were considered as reference compounds to assess the accuracy of the method developed by us (see Tables and ). In addition, missing (experimental) values were calculated for salts 5 , 11 with the diaminoguanidinium cation ([DAGH] + ) .…”

Section: Resultsmentioning

confidence: 99%

New Method for Predicting the Enthalpy of Salt Formation

Khakimov

Pivina

2022

J. Phys. Chem. A

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A new efficient method for calculating the enthalpies of salt formation is proposed. The method is based on a fundamentally new cocrystal model, consisting of a mixture of cations and anions and a “quasi-salt” of neutral components, in fact, of the salt itself, and the enthalpy of formation is calculated as the average value between the enthalpies of formation of these two structural components. Unlike correlation and additive schemes, this method is based on the construction of a real physical model of a salt crystal, for which the molecular geometry of the ions and neutral salt components is preliminarily optimized by quantum chemistry methods. Further, based on the obtained data, the initial models of crystal lattices in the statistically most probable structural classes are constructed with their subsequent optimization by the method of Atom–Atom potentials. For a number of compounds of various chemical classes, the effectiveness of the method for estimating the enthalpy of salts is shown, which surpasses the known methods in terms of calculation accuracy.

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Enthalpies of formation of triaminoguanidinium chloride, nitrate, and perchlorate

Cited by 6 publications

References 1 publication

A Spin-Frustrated Trinuclear Copper Complex Based on Triaminoguanidine with an Energetically Well-Separated Degenerate Ground State

A Spin-Frustrated Trinuclear Copper Complex Based on Triaminoguanidine with an Energetically Well-Separated Degenerate Ground State

Combustion Mechanism of Triaminoguanidine Nitrate

New Method for Predicting the Enthalpy of Salt Formation

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