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Energetic Salts (energetic + salt)

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Chemistry100%

Selected Abstracts

Nitroamino Triazoles: Nitrogen-Rich Precursors of Stable Energetic Salts

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 16 2008
Yangen Huang
Abstract 1-Nitroamino-1,2,3-triazole (5) was synthesized and its zwitterionic structure was established using single-crystal X-ray diffraction. The calculated detonation properties for 4-nitroamino-1,2,4-triazole (2) (P = 33.4 GPa, vD = 8793 m/s) and 1-nitroamino-1,2,3-triazole (5) (P = 33.0 GPa, vD = 8743 m/s) are comparable with RDX. A new family of energetic salts 7,21 based on either the 1-nitroamino-1,2,3-triazolate or the 4-nitroamino-1,2,4-triazolate anion were prepared and characterized by vibrational spectroscopy (IR), multinuclear NMR spectra, elemental analyses, density, TGA and DSC. The heats of formation (,fH°298) and detonation properties for these stable salts were calculated using Gaussian 03 and Cheetah 4.0, respectively. Comparison of the properties of the 1,2,3- and 1,2,4-triazolate salts indicates that while the 1,2,4-derivatives are more stable thermally, the 1,2,3-analogs invariably have higher heats of formation. In contrast to its salts, 1-nitroamino-1,2,3-triazole (5) is extremely shock-sensitive with an impact sensitivty of <1 J. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008) [source]

Pentafluorosulfanyl (SF5) Containing Energetic Salts

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 16 2006
Haixiang Gao
Abstract New quaternary salts of pentafluorosulfanyl-substituted (SF5) N -methylimidazole (1), 4-amino-1,2,4-triazole (3) or pyridine (5) were prepared and characterized. Most of the salts exhibit good thermal stabilities and low melting points placing them in the ionic liquid class. Their densities range between 1.4 and 1.8 g/cm3. The standard enthalpies of formation for the new salts were calculated by the use of computationally feasible DFT(B3LYP) and MP2 methods in conjunction with an empirical approach based on densities of salts. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006) [source]

3,4,5-Trinitropyrazole-Based Energetic Salts

CHEMISTRY - A EUROPEAN JOURNAL, Issue 35 2010
Dr. Yanqiang Zhang
Abstract High-density energetic salts that are comprised of nitrogen-rich cations and the 3,4,5-trinitropyrazolate anion were synthesized in high yield by neutralization or metathesis reactions. The resulting salts were fully characterized by 1H, 13C,NMR, and IR spectroscopy; differential scanning calorimetry; and elemental analysis. Additionally, the structures of the 3,5-diaminotriazolium and triaminoguanidinium 3,4,5-trinitropyrazolates were confirmed by single-crystal X-ray diffraction. Based on the measured densities and calculated heats of formation, the detonation performances (pressure: 23.74,31.89,GPa; velocity: 7586,8543,ms,1; Cheetah 5.0) of the 3,4,5-trinitropyrazolate salts are comparable with 1,3,5-triamino-2,4,6-trinitrobenzene (TATB; 31.15,GPa and 8114,ms,1). Impact sensitivities were determined to be no less than 35,J by hammer tests, which places these salts in the insensitive class. [source]

Polycyano-Anion-Based Energetic Salts

CHEMISTRY - A EUROPEAN JOURNAL, Issue 4 2008
Haixiang Gao Dr.
Abstract Energetic salts based on polycyano anions and cations with a high nitrogen content tend to have extensive hydrogen bonding and exhibit heats of formation up to ,Hf=1579.1,kJ,mol,1. Based on theoretical calculations, some of the new salts may be considered to be low-energy monopropellants. One of the salts can be used as a precursor to a carbon nitride. [source]

2,4,5-Trinitroimidazole-Based Energetic Salts

CHEMISTRY - A EUROPEAN JOURNAL, Issue 14 2007
Haixiang Gao Dr.
Abstract 2,4,5-Trinitroimidazolate (TNI) salts with "high-nitrogen" cations tend to be highly hydrogen bonded and have heats of formation ranging up to 616,kJ,mol,1. Density, oxygen balance, and thermostability are enhanced by the presence of TNI. Based on theoretical calculations, all of the new salts are potential propellants. [source]

Polycyano-Anion-Based Energetic Salts

CHEMISTRY - A EUROPEAN JOURNAL, Issue 4 2008
Haixiang Gao Dr.
Abstract Energetic salts based on polycyano anions and cations with a high nitrogen content tend to have extensive hydrogen bonding and exhibit heats of formation up to ,Hf=1579.1,kJ,mol,1. Based on theoretical calculations, some of the new salts may be considered to be low-energy monopropellants. One of the salts can be used as a precursor to a carbon nitride. [source]

Nitroamino Triazoles: Nitrogen-Rich Precursors of Stable Energetic Salts

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 16 2008
Yangen Huang
Abstract 1-Nitroamino-1,2,3-triazole (5) was synthesized and its zwitterionic structure was established using single-crystal X-ray diffraction. The calculated detonation properties for 4-nitroamino-1,2,4-triazole (2) (P = 33.4 GPa, vD = 8793 m/s) and 1-nitroamino-1,2,3-triazole (5) (P = 33.0 GPa, vD = 8743 m/s) are comparable with RDX. A new family of energetic salts 7,21 based on either the 1-nitroamino-1,2,3-triazolate or the 4-nitroamino-1,2,4-triazolate anion were prepared and characterized by vibrational spectroscopy (IR), multinuclear NMR spectra, elemental analyses, density, TGA and DSC. The heats of formation (,fH°298) and detonation properties for these stable salts were calculated using Gaussian 03 and Cheetah 4.0, respectively. Comparison of the properties of the 1,2,3- and 1,2,4-triazolate salts indicates that while the 1,2,4-derivatives are more stable thermally, the 1,2,3-analogs invariably have higher heats of formation. In contrast to its salts, 1-nitroamino-1,2,3-triazole (5) is extremely shock-sensitive with an impact sensitivty of <1 J. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008) [source]

Structural and Preliminary Explosive Property Characterizations of New 3,4,5-Triamino-1,2,4-triazolium (Guanazinium) Salts

PROPELLANTS, EXPLOSIVES, PYROTECHNICS, Issue 5 2008
Chaza Darwich
Abstract Two new highly stable energetic salts were synthesized in reasonable yield by using the high nitrogen-content heterocycle 3,4,5-triamino-1,2,4-triazole and resulting in its picrate and azotetrazolate salts. 3,4,5-Triamino-1,2,4-triazolium picrate (1) and bis(3,4,5-triamino-1,2,4-triazolium) 5,5,-azotetrazolate (2) were characterized analytically and spectroscopically. X-ray diffraction studies revealed that protonation takes place on the nitrogen N1 (crystallographically labelled as N2). The sensitivity of the compounds to shock and friction was also determined by standard BAM tests revealing a low sensitivity for both. B3LYP/6,31G(d,,p) density functional (DFT) calculations were carried out to determine the enthalpy of combustion (,cH(1)=,3737.8,kJ mol,1, ,cH(2)=,4577.8,kJ mol,1) and the standard enthalpy of formation (,fH°(1)=,498.3,kJ mol,1, (,fH°(2)=+524.2,kJ mol,1). The detonation pressures (P(1)=189×108,Pa, P(2)=199×108,Pa) and detonation velocities (D(1)=7015,m s,1, D(2)=7683,m s,1) were calculated using the program EXPLO5. [source]

3,4,5-Trinitropyrazole-Based Energetic Salts

CHEMISTRY - A EUROPEAN JOURNAL, Issue 35 2010
Dr. Yanqiang Zhang
Abstract High-density energetic salts that are comprised of nitrogen-rich cations and the 3,4,5-trinitropyrazolate anion were synthesized in high yield by neutralization or metathesis reactions. The resulting salts were fully characterized by 1H, 13C,NMR, and IR spectroscopy; differential scanning calorimetry; and elemental analysis. Additionally, the structures of the 3,5-diaminotriazolium and triaminoguanidinium 3,4,5-trinitropyrazolates were confirmed by single-crystal X-ray diffraction. Based on the measured densities and calculated heats of formation, the detonation performances (pressure: 23.74,31.89,GPa; velocity: 7586,8543,ms,1; Cheetah 5.0) of the 3,4,5-trinitropyrazolate salts are comparable with 1,3,5-triamino-2,4,6-trinitrobenzene (TATB; 31.15,GPa and 8114,ms,1). Impact sensitivities were determined to be no less than 35,J by hammer tests, which places these salts in the insensitive class. [source]

Energetic N,N,N,,N, -Tetraaminopiperazinium Salts

CHEMSUSCHEM CHEMISTRY AND SUSTAINABILITY, ENERGY & MATERIALS, Issue 3 2008
Haixiang Gao Prof.
Abstract The formation of tetraaminopiperazinium salts using water as solvent provides a green, straightforward approach to highly energetic salts that exhibit good thermal stabilities and moderate densities. The N,N,N,,N, -tetraaminopiperazinium cation was selected for this study because of its high nitrogen,nitrogen bond content and its high positive heat of formation. Theoretical and empirical calculations on energetic salts based on this nitrogen-rich cation reveal them to have high positive molar enthalpies of formation, as high as 1034.0,kJ,mol,1, supporting the application of these new salts as potential energetic materials. [source]