To seek new high energetic materials, N-methylene-C-bridged nitrogen-rich heterocycle 1-((4,5-diamino-4H-1,2,4-triazol-3-yl)methyl)-1H-1,2,4-triazol-3,5-diamine (DATMTDA) (2) was first synthesized, and two copper coordination compounds ([Cu12(OH)4(ClO4)4(H2O)4(DATMTDA)12](ClO4)16·12H2O (3) and [Cu3(OH)(ClO4)(DATMTDA)3](ClO4)3(NO3) (4)) based on 2 were formed by introducing different anions. These compounds were characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction analysis. The crystal structures of compounds 3 and 4 are similar and crystallize in monoclinic systems with the P21/c space group, while the central copper atoms show different coordination behaviors. However, the structure of compounds 3 and 4 is analogous to a three dimensional structure owing to the O atom of OH-, forming coordinate bonds with three copper cations. The NBO charge of 2 was calculated using density functional theory to understand its coordination modes. The Hirshfeld surface calculation reveals that 3 and 4 have strong intermolecular interactions. The thermal decomposition processes, non-isothermal kinetics, and enthalpies of formation and sensitivities of these compounds were investigated. By introducing one NO3- of compound 4 to replace one ClO4- in compound 3, compound 4 shows lower density and lower decomposition peak temperature but lower sensitivity and a higher formation enthalpy than compound 3. The complex 4 possesses an outstanding catalytic effect for the decomposition of AP than that of complex 3. The results illustrate the possibility of introducing various anions into energetic coordination compounds for the regulation of energetic materials.

Two undescribed sesquiterpenoids, including one nor-eudesmane type (1) and one guaiane type (2), together with two known analogues (3-4) have been isolated and identified from the fruits of Alpinia oxyphylla. The structures of these new compounds were elucidated by extensive spectroscopic analyses (1D-, 2D-NMR, HRESIMS, IR, UV) and NMR calculations with DP4+ analysis. The anti-inflammatory activities of all isolates were evaluated by measuring their inhibitory effects on PGE2 production in LPS stimulated RAW 264.7 macrophages.

Nitrogen-rich energetic salts have attracted considerable interest recently, due to their fascinating thermal stability and energetic performance. In this work, N-methylene-C-bridged nitrogen-rich heterocycle (5-((5-amino-tetrazol-1-yl)methyl)-1,2,4-triazole-3,4-diamine (ATMTDA) (1)) were synthesized and its nitrogen-rich energetic salts ((ATMTDA) 2 [(HATMTDA)(DCNM)] 2 H 2 O (2), (HATMTDA)NO 3 (3), (H 2 ATMTDA)(NO 3 ) 2 (4), (HATMTDA)ClO 4 (5), (HATMTDA)NTO (6), and (H 2 ATMTDA)(PA) 2 (H 2 O) 2 (7)) were prepared. These energetic compounds were fully characterized by elemental analysis, FTIR spectroscopy and single-crystal X-ray diffraction analysis. The NBO charge of 1 was calculated by density functional theory, to understand which N atoms was more vulnerable to attack by H protons to become cations. And the thermal stability of these compounds was studied by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) with acceptable results ( T dec > 190 degrees C). All of the studied compounds except for compound 5 (FS = 216 N, IS = 3 J) exhibited less sensitivities than RDX ((FS = 120 N, IS = 7.4 J), and compound 1 (8.62 km/s, 25.71 GPa) showed good detonation performance. All of the results illustrated the potential application of the compounds as energetic materials.(c) 2023 Elsevier B.V. All rights reserved.

Exploring alternatives of lead-containing primary explosives (lead azide, LA; lead styphnate, LS) has always been a pressing issue in the field of energetic materials. Although some lead-free primary explosives based on tetrazole have been reported, there are no qualified products that really replace LA. In this research, four energetic coordination polymers [Cu-3(ATZ)(2)(N-3)(6)](n) (CAA-1), [Cu(ATZ)(2)(N-3)(2)](n) (CAA-2) (ATZ = 4-amino-1,2,4-triazole), [Cu-2(IMI)(N-3)(4)](n) (CIA) (IMI = imidazole) and [Cu-3(2-MAT)(2)(N-3)(6)](n) (CMA) (2-MAT = 1-methyl-5-aminotetrazole) are synthesized via a mild method. Their molecular structures are confirmed by X-ray single crystal diffraction with fascinating 1D, 2D, and 3D frameworks. Thermal decomposition temperatures, sensitivities and the initiation capabilities of these compounds are measured in details. The results show that weak interaction effectively improves the stability of these compounds. The tunable ignition performances (minimum primary charge as 20 mg for CAA-1, 50 mg for CIA, 15 mg for CMA) and sensitivities can be tailored by different ligands. In particular, CAA-1 possesses an acceptable (172.2 degrees C) thermal stablility, sensitivity, excellent free-flowing property and micromorphology, it is thus employed for future commercial application tests. The detonating capabilities of three typical detonators using CAA-1 to replace lead azide are tested with excellent results.

Three insensitive energetic alkaline earth metal salts based on 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate were synthesized. All the salts exhibit explosive properties comparable to TNT, and are suggested as potential energetic materials.

By introducing hydroxymethyl into nitrogen-rich heterocyclic compounds, we designed and synthesized a new ligand. The three dimensional (3D) energetic metal complexes sodium and potassium salts of new ligand were investigated for heat-resistant energetic materials.

Two new tetrazole energetic compounds， magnesium and calcium salts of 1，2‑bis（tetrazol‑5‑yl）ethane （［Mg（BTE）（H2O）4］n·nH2O and ［Ca（BTE）（H2O）5］n） are herein reported. The structures，thermal decomposition temperatures and sensitivity were measured for further application.

Two new polynitroazobenzene energetic compounds, 2,2′,4,4′,6,6′⁃hexachloro⁃3,3′,5,5′⁃tetranitroazobenzene (HCTNAB) and 4,4′⁃dichloro⁃2,2′,3,3′,5,5′⁃hexanitro⁃6,6′⁃dimethoxyazobenzene (DCHNDOCAB), are herein reported. The structures, thermal decomposition temperature, detonation performance were fully measured.

Seven energetic transition metal complexes based on methyl carbazate and picric acid were synthesized in this work. All of them exhibit excellent catalytic performance on the thermal decomposition of ammonium perchlorate, especially the Cu(ii) complex.

Two novel TACOT derivatives, compounds 7 and 8, were synthesized and characterized. Compound 7 is suggested as a heat-resistant explosive, and compound 8 is a potential nitrogen-rich high energetic material with excellent positive heat of formation of 1053 kJ mol−1.

Nitrogen-rich energetic compound 5,5 '-dinitramino-3,3 '-methylene-1H-1,2,4-bistriazole (H(2)DNAMT (1)) and its transition metal salts, including [Co(DNAMT)(H2O)(4)]center dot 2H(2)O (2), [Ni(DNAMT)(H2O)(4)]center dot 2H(2)O (3), [Zn(DNAMT)(H2O)(4)]center dot 2H(2)O (4), [Cd(DNAMT)(H2O)(4)]center dot 2H(2)O (5) and [Fe(BNATO)(H2O)(4)]center dot 2H(2)O (6), were synthesized and characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction analysis. The crystal structures of compounds 2-5 are similar, and crystallize in orthorhombic systems with the Pnma space group, whereas compound 6 belongs to the orthorhombic system with the Pccn space group. The densities of these salts are in the range of 1.832 (compound 2) to 1.999 g cm(-3) (compound 5). In compound 6, H(2)DNAMT was oxidized to bis(3-nitroimino-2H-1,2,4-triazole-5-yl)methanone (H(2)BNATO) due to the trivalent iron anion. The NBO charge of H(2)DNAMT and BNATO(2-) was calculated by density functional theory, to understand their coordination modes. The thermal decomposition processes, non-isothermal kinetics, enthalpies of formation and sensitivities of these compounds were investigated in detail to argue their potential application as energetic materials.

A larger multi-nitro, multi-azide and multi-oxidized furazan ring compound with π–π stacking is herein reported. The coupling reaction of a NN bond and an azido was an efficient method to synthesize benzotriazole.