According to previous reports, metal cations or water molecules are necessary for the stabilization of pentazolate anion (cyclo-N ) at ambient temperature and pressure. Seeking a new method to stabilize N is a big challenge. In this work, three anhydrous, metal-free energetic salts based on cyclo-N 3,9-diamino-6,7-dihydro-5 H-bis([1,2,4]triazolo)[4,3-e:3',4'-g][1,2,4,5] tetrazepine-2,10-diium, N-carbamoylguanidinium, and oxalohydrazinium (oxahy ) pentazolate were synthesized and isolated. All salts were characterized by elemental analysis, IR spectroscopy, H, C, and (in some cases) N NMR spectroscopy, thermal analysis (TGA and DSC), and single-crystal XRD analysis. Computational studies associated with heats of formation and detonation performance were performed by using Gaussian 09 and Explo5 programs, respectively. The sensitivity of the salts towards impact and friction was determined, and overall the real N explosives showed promising energetic properties.
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http://dx.doi.org/10.1002/asia.201800187 | DOI Listing |
J Am Chem Soc
January 2025
Institute of Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Givat Ram, Jerusalem 9190401, Israel.
This study investigates π-delocalization, π-bonding situations, and aromaticity of the pentazolate anion ([cyclo-N], ()), which was detected by Christe in 2002. To gain a broader perspective, we investigated the iso-π-electronic species [cyclo-P] () and [cyclo-(CH)] (). VB analyses reveal that the three studied molecules display significant resonance stabilization, as indicated by their high resonance energy values.
View Article and Find Full Text PDFDalton Trans
January 2025
School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Xiaolingwei 200, Nanjing 210094, China.
As a new type of polynitrogen species that is stable at room temperature, the pentazolate anion (-N) has attracted much attention in the field of high-energy density materials, but its energy and stability are unbalanced. Cocrystallisation can balance their properties to some extent by forming new chemical compositions from existing -N compounds through non-covalent interactions. This article reviews the research progress of -N cocrystals in recent years, including synthetic methods, cocrystals of metal-N compounds, and cocrystals of nonmetallic pentazolate salts.
View Article and Find Full Text PDFSmall
October 2024
School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.
The synthesis of stable polynitrogen compounds with high-energy density has long been a major challenge. The cyclo-pentazolate anion (cyclo-N ) is successfully converted into aromatic and structurally symmetric bipentazole (N) via electrochemical synthesis using highly conductive multi-walled carbon nanotubes (MWCNTs) as the substrate and sodium pentazolate hydrate ([Na(HO)(N)]·2HO) as the raw material. Attenuated total refraction Fourier transform infrared spectroscopy, Raman spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy, and density functional theory calculations confirmed the structure and homogeneous distribution of N in the sidewalls of the MWCNTs (named MWCNT-N10-n m).
View Article and Find Full Text PDFInorg Chem
July 2024
Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621999, China.
Pentazole (-HN) is a unique heterocycle categorized as both an organic and inorganic compound. However, attempts to synthesize and characterize -HN have been unsuccessful thus far. In this study, we synthesized a -HN solution and investigated the spectra, structure, aromaticity, acidity, and stability of -HN.
View Article and Find Full Text PDFChemphyschem
June 2024
Institute of Chemical Materials, China Academy of Engineering Physics, 621900, Mianyang, China.
Pentazole is regarded as a unique inorganic molecule that possess organic heterocyclic structure. Therefore, the research on pentazolyl derivatives represents a cutting-edge direction in both contemporary inorganic chemistry and heterocyclic chemistry. Moreover, their synthesis is regarded as the most significant research topic in the field of energetic materials due to the great potential of pentazolyl derivatives to breakthrough the energy bottleneck of CHNO-based energetic materials.
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