6,6′-(hydrazine-1,2-diyl)bis(8-nitro-[1,2,4]triazolo[4,3-b]pyridazine-3,7-diamine) (HDP) was designed. HDP exhibits a striking thermal decomposition temperature, indicating its potential to be used as a heat-resistant energetic material.
A series of high-performance 2-(1,2,4-triazole-5-yl)-1,3,4-oxadiazole-based energetic compounds was obtained by a resonance-assisted hydrogen bonding approach.
Crystallographic and energetic analyses show how E/Z isomers form distinct supramolecular architectures. Hydrogen bonding and dispersion govern assembly, with energy vector diagrams revealing interaction hierarchies in acyclic systems.
Two new β-aminoenones, NH-alkyl (2Z)-3-butylamino-4,4,4-trifluoro-1-(2-hydroxy-5-nitrophenyl)but-2-en-1-one (1) and its NH2 amino counterpart (2), were synthesized and characterized using experimental and theoretical methods.
By construing a π electron-localized state with a block-localized wavefunction method, we proposed an efficient approach to separate the σ-inductive and π-resonance effects of substituents on modulating the strength of RAHB in malonaldehyde.