Insight into melting point differences of dinitroimidazoles and dinitropyrazoles from the perspective of intermolecular interactions

Physical Chemistry Chemical Physics, Год журнала: 2024, Номер 26(5), С. 4752 - 4758

Опубликована: Янв. 1, 2024

A linear equation relating the interaction energy and melting point was fitted by decomposing periodic crystal structures into molecular dimers calculating their energies using Symmetry-Adapted Perturbation Theory (SAPT).

Язык: Английский

Sequential, Electrochemical‐Photochemical Synthesis of 1,2,4‐Triazolo‐[4,3‐a]pyrazines

Chemistry - A European Journal, Год журнала: 2024, Номер 30(31)

Опубликована: Апрель 4, 2024

1,2,4-triazolo-[4,3-a]pyrazine was prepared via a two-step electrochemical, photochemical process. First, 5-substituted tetrazole is electrochemically coupled to 2,6-dimethoxypyrazine yield 1,5- and 2,5- disubstituted tetrazoles. Subsequent excitation of the 2,5-disubstituted species using an ultraviolet lamp releases nitrogen gas produces short-lived nitrilimine intermediate. cyclization intermediate yields backbone. The scope this reaction explored various tetrazoles pyrazines. Materials produced were identified chemical analytical techniques computationally studied for potential application as insensitive energetic material.

Язык: Английский

Design, synthesis, and properties of melt-cast explosive carriers: a review

Journal of Materials Science, Год журнала: 2024, Номер 59(31), С. 14172 - 14184

Опубликована: Июль 28, 2024

Язык: Английский