N-Site Regulation of Pyridyltriazole in Cp*Ir(N̂N)(HO) Complexes Achieving Catalytic FA Dehydrogenation.

A series of novel Cp*Ir complexes with nitrogen-rich N̂N bidentate ligands were developed for the catalytic dehydrogenation of formic acid in water under base-free conditions. These complexes were synthesized by using pyridyl 1,2,4-triazole, methylated species, or pyridyl 1,2,3-triazole as a N-site regulation ligand and were fully characterized. Complex bearing 1,2,4-triazole achieved a high turnover frequency of 14192 h at 90 °C in 4 M FA aqueous solution.

Three-Dimensional Metal-Organic Frameworks as Super Heat-Resistant Explosives: Potassium 4,4'-Oxybis[3,3'-(5-tetrazol)]furazan and Potassium (1,2,4-Triazol-3-yl)tetrazole.

Heat-resistant explosives play an irreplaceable role in specialized applications. Two energetic metal-organic frameworks (EMOFs), potassium 4,4'-oxybis[3,3'-(5-tetrazol)]furazan and potassium (1,2,4-triazol-3-yl)tetrazole, featuring a three-dimensional metal-organic framework structure, were first synthesized and characterized by chemical (H NMR, C NMR, MS, IR spectroscopy, and single-crystal XRD) and physicochemical analyses (sensitivity toward friction, impact, electrostatic, and DSC-TGA test). The new 3D EMOFs were found to show high thermostability, highly positive heat of formation, and suitable sensitivities.

Design of functionalized bridged 1,2,4-triazole -oxides as high energy density materials and their comprehensive correlations.

The demand for high energy density materials (HEDMs) remains a major challenge. Density functional theory (DFT) methods were employed to design a new family of bridged 1,2,4-triazole -oxides by the manipulation of the linkage and oxygen-containing groups. The optimized geometry, electronic properties, energetic properties and sensitivities of new 40 molecules in this study were extensively evaluated.