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Borzdun, V. N.; Dvorovenko, N.N.; Ryabykh, S. M.

doi:10.1023/a:1021039212037

Cited by 5 publications

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“…1,2 Therefore, their structure, properties, and decomposition mechanism are extensively investigated and compared. [3][4][5][6][7][8][9][10][11][12][13] Unfortunately, many fundamental and practical problems of these compounds are still not well understood because they possess a complex chemical behavior. For crystalline styphnic acid and its metal salts, there is a variation in the stability to impact, light, and shock.…”

Section: Introductionmentioning

confidence: 99%

“…Styphnic acid (2,4,6-trinitroresorcinol) is one of several polyhydric phenols of industrial importance, especially to the explosives industry. Its metal salts, particularly lead styphnate, have been extensively used as primary explosives for several decades. , Therefore, their structure, properties, and decomposition mechanism are extensively investigated and compared. − Unfortunately, many fundamental and practical problems of these compounds are still not well understood because they possess a complex chemical behavior. For crystalline styphnic acid and its metal salts, there is a variation in the stability to impact, light, and shock.…”

Section: Introductionmentioning

confidence: 99%

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First-Principles Study of Electronic, Absorption, and Thermodynamic Properties of Crystalline Styphnic Acid and Its Metal Salts

Zhu

Xiao

2009

J. Phys. Chem. B

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The electronic structure, absorption spectra, and thermodynamic properties of crystalline styphnic acid and its metal salts (potassium, barium, and lead styphnates) have been studied using density functional theory within the local density approximation. The results show that the metal states affect the electronic structure of styphnic acid by modifying the density of states of the O atoms of hydroxyls. The C-O bond fission may be favorable in the decomposition of styphnic acid and its metal salts. The absorption spectra of the four crystals display a few strong bands in the fundamental absorption region. Compared with styphnic acid, potassium, barium, and lead styphnates decrease its enthalpy, entropy, free energy, and heat capacity as the temperature increases. However, the differences of the thermodynamic functions between each metal salt are very small. As the temperature increases, the decomposition reactions of the four crystals are more and more favorable thermodynamically. It is also found that there is a relationship between the band gap and impact sensitivity for the four crystals.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

First-Principles Study of Electronic, Absorption, and Thermodynamic Properties of Crystalline Styphnic Acid and Its Metal Salts

Zhu

Xiao

2009

J. Phys. Chem. B

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“…Nitro phenolic compounds such as 2, 4,6‐trinitrophenol (picric acid, PA) and 2, 4,6‐trinitroresorcinol (styphnic acid, TNR) have been widely used in the explosive industry as the materials 8–10. Their metallic salts are promising primary explosives, such as KPA or LTNR 11,12. The π system and nitro groups in the compound can also benefit to form intermolecular hydrogen bonds, which can increase the stability of compounds 13.…”

Section: Introductionmentioning

confidence: 99%

Preparation, Crystal Structure, and Thermal Analysis of Two Energetic Salts Based on Nitro Phenolic Compounds with Diamino‐glyoxine

Zhang

Qin

Yin

2016

Zeitschrift anorg allge chemie

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As a key research objective for environmentally friendly energetic materials, energetic salts without heavy metal have received wide attention. The energetic salts DAG·PA·H 2 O (1) and DAG·TNR·H 2 O (2) were synthesized by using diamino-glyoxine (DAG) and picric acid (PA) or 2,4,6-trinitro-resorcinol (TNR) as raw materials, and their structures were characterized by elemental analysis, FT-IR, 1 H NMR, and 13 C NMR spectroscopy. Single crystals of the title salts were cultured and their structures were determined by Xray single-crystal diffraction. Both salts belong to the triclinic space group P1 with density values of 1.764 and 1.751 g·cm -3 , respectively.

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“…2,4,6-Trinitro-resorcinol (TNR) is known as styphnic acid. 1 Its metal salts, particularly lead styphnate and barium styphnate as important explosive materials [2][3][4][5] have been widely applied to war industry. However they will release serious metallic pollution after explosion, which is bad for peopleʹs health and environment.…”

Section: Introductionmentioning

confidence: 99%

Solution Heat of Potassium Styphnate and Caesium Styphnate in Water and DMF at 298.15 K

Liu¹,

Wen-Chao²,

Yang³

et al. 2013

Acta Physico-Chimica Sinica

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The dissolution and thermochemical properties of potassium styphnate [K2(TNR) (H2O)]n and cesium styphnate [Cs2(TNR)(H2O)2]n in water and N,N-dimethylformamide (DMF) at 298.15 K were studied by calorimetry. The processes are endothermic in water, and exothermic in DMF because of the different molecular structure and polarity of the solutes and solvents. Empirical formulas for the solution enthalpies (ΔsolH), relative apparent molar solution enthalpies (ФLi), relative partial molar enthalpies (Li), and dilution enthalpies (ΔdilH1,2) are deduced by polynomial expressions, and standard solution enthalpies (ΔsolH m) are also calculated.

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Cited by 5 publications

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First-Principles Study of Electronic, Absorption, and Thermodynamic Properties of Crystalline Styphnic Acid and Its Metal Salts

First-Principles Study of Electronic, Absorption, and Thermodynamic Properties of Crystalline Styphnic Acid and Its Metal Salts

Preparation, Crystal Structure, and Thermal Analysis of Two Energetic Salts Based on Nitro Phenolic Compounds with Diamino‐glyoxine

Solution Heat of Potassium Styphnate and Caesium Styphnate in Water and DMF at 298.15 K

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