A series of guanidine salts of 3,6-bis-nitroguanyl-1,2,4,5-tetrazine: green nitrogen-rich gas-generating agent

Zhang, Cong; Chen, Xiang; Hu, Yongpeng; Bai, Yang; Guo, Zhaoqi; Fan, Daidi; Ma, Hua

doi:10.1039/d0ra06766k

Cited by 8 publications

(2 citation statements)

References 34 publications

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“…2269 cm -1 , and v (CO2(g)): 2350 cm -1 . [51][52][53] In the case of Cu-BTC, an extra band was observed D r a f t corresponding to v (NO2(g)): 1614 cm -1 . 54,55 This may be attributed to the oxidizing ability of Cu for NO(g) in Cu-BTC, which is responsible for the presence of NO 2 species in the gas phase spectra.…”

Section: R a F Tmentioning

confidence: 98%

Mechanistic studies on the conversion of NO gas on urea-iron and copper metal organic frameworks at low temperature conditions: in situ infrared spectroscopy and Monte Carlo investigations

2021

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Nitrogen oxides (NOx) emissions from high temperature combustion processes under fuel-lean conditions continue to be a challenge for the energy industry. Selective catalytic reduction (SCR) has been possible with metal oxides and zeolites. There is still the need to identify catalytic materials that are efficient in reducing NOx to environmentally benign nitrogen gas at temperatures lower than 200°C. Metal-organic frameworks (MOFs) emerged as a class of highly porous materials with unique physical and chemical properties. This study is motivated by the lack of systematic investigations on SCR using MOFs under industrially-relevant conditions. Here, we investigate the extent of NO conversion with two commercially-available MOFs; Basolite F300 (Fe-BTC) and HKUST-1 (Cu-BTC), mixed with solid urea as a source for the reductant, ammonia gas. For comparison, experiments were also conducted using cobalt ferrite (CoFe2O4) as a non-porous counterpart to relate its reactivity to those obtained from MOFs. Fourier-transform infrared spectroscopy (FTIR) was utilized to identify gas and surface species the temperature range 115 -180°C. Computational analysis was performed using Monte Carlo (MC) simulations to quantify adsorption energies of different surface species. The results show that the rate of ammonia production from the in situ solid urea decomposition was higher using CoFe2O4 than Fe-BTC and Cu-BTC, and that there is very limited conversion of NO on the mixed solid urea-MOF systems due to site blocking. The main conclusions from this study is that MOFs have limited abilities in converting NO under low temperature conditions, and that surface regeneration requires additional experimental steps.

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Section: R a F Tmentioning

confidence: 98%

Mechanistic studies on the conversion of NO gas on urea-iron and copper metal organic frameworks at low temperature conditions: in situ infrared spectroscopy and Monte Carlo investigations

2021

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“…Alongside ever greater efforts to develop more powerful explosives, the environmental aspect in particular is a central factor for the development of new energetic materials. [1][2][3] For this, some basic properties should be fulfilled, whereby newly developed substances should be free of heavy metals and perchlorates. Compounds containing these components are demonstrably harmful to the environment and hazardous to humans' health.…”

Section: Introductionmentioning

confidence: 99%

1‐Nitrimino‐5‐azidotetrazole: Extending Energetic Tetrazole Chemistry

2022

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Azide and nitrimino functions are among the most energetic substituents that can be introduced to the skeleton to enhance the energetic properties of a compound. In this study, we report the successful synthesis of a compound that combines both, azide and nitrimino substituents directly attached to one tetrazole scaffold. 1-Nitrimino-5-azidotetrazole is prepared by nitration of 1-amino-5-azidotetrazole. Subsequent salination with ammonia and guanidinium carbonate yields two highly energetic derivatives. All energetic compounds, as well as the intermediate steps of an alternatively developed synthesis strategy, were analysed and characterized in detail. In addition to multinuclear NMR and IR spectroscopy, crystal structures of all key compounds were measured. The sensitivities (friction, impact, electrostatic discharge and thermal) were determined accordingly. In addition, the detonation parameters of all energetic substances were calculated with the EXPLO5 code, which was fed with the enthalpy of formation (atomization method based on CBS-4M) and the crystallographic densities.

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Searching for high performance asymmetrically substituted teterazine energetic materials based on 3-hydrazino-6-(1H-1,2,3,4-tetrazol-5-ylimino)-s-tetrazine

Chen

Zhang

Cao

et al. 2022

Arabian Journal of Chemistry

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A series of guanidine salts of 3,6-bis-nitroguanyl-1,2,4,5-tetrazine: green nitrogen-rich gas-generating agent

Abstract: All salts show slight cytotoxicity in mouse fibroblasts and the main decomposition gas products of thermal decomposition are non-toxic.

Cited by 8 publications

References 34 publications

Mechanistic studies on the conversion of NO gas on urea-iron and copper metal organic frameworks at low temperature conditions: in situ infrared spectroscopy and Monte Carlo investigations

Mechanistic studies on the conversion of NO gas on urea-iron and copper metal organic frameworks at low temperature conditions: in situ infrared spectroscopy and Monte Carlo investigations

1‐Nitrimino‐5‐azidotetrazole: Extending Energetic Tetrazole Chemistry

Searching for high performance asymmetrically substituted teterazine energetic materials based on 3-hydrazino-6-(1H-1,2,3,4-tetrazol-5-ylimino)-s-tetrazine

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