Impact of explosophoric group isomerism on fine-tuning of energetic compounds: Isomeric N2O2CH3 groups as a key structural motif

Impact of explosophoric group isomerism on fine-tuning of energetic compounds: Isomeric N2O2CH3 groups as a key structural motif Full article

Journal

FirePhysChem
ISSN: 2667-1344

Output data

Year: 2025, DOI: 10.1016/j.fpc.2025.12.001

Authors

Klenov Michael S. ¹ , Kulikov Andrey A. ¹ , Leonov Nikita E. ¹ , Gribov Pavel S. ¹ , Vinogradov Dmitry B. ¹ , Samigullina Aida I. ¹ , Strelenko Yurii A. ¹ , Pivkina Alla N. ² , Kosareva Ekaterina K. ² , Kon'kova Tatiana S. ² , Matyushin Yurii N. ² , Sheremetev Aleksei B. ¹

Affiliations

1	N. D. Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences, 47 Leninsky prosp. 119991 Moscow, Russia
2	N. N. Semenov Federal Research Center for Chemical Physics Russian Academy of Sciences, 4 Kosygina street 119991 Moscow, Russia

Isomeric high-energy oxygen- and nitrogen-rich compounds are an attractive and increasingly important family of energetic molecular materials. The introduction of isomerism as a methodology into the practice of designing energetic compounds is not only of fundamental importance, but also expands the possibilities for practical applications. The three explosophoric isomeric N2O2CH3 groups, N-methylnitramide (isomer type A), 1-methoxydiazene 1-oxide (isomer type B), and 2-methoxydiazene 1-oxide (isomer type C), have been demonstrated and are promising building blocks for molecular engineering, providing tuning of properties important for energetic materials, such as density, enthalpy of formation, and sensitivity to external stimuli. Diverse combinations of the above isomeric groups with furazan-based frameworks were synthesized, which led to various molecular architectures that provided an opportunity to consider some structure-properties relationships. The spectral, structural and thermochemical characteristics, as well as impact/friction sensitivities and detonation performance of isomeric analogues illustrate the extent to which explosophoric group isomerism can be used to tune the properties of energetic molecules.

Klenov M.S. , Kulikov A.A. , Leonov N.E. , Gribov P.S. , Vinogradov D.B. , Samigullina A.I. , Strelenko Y.A. , Pivkina A.N. , Kosareva E.K. , Kon'kova T.S. , Matyushin Y.N. , Sheremetev A.B.
Impact of explosophoric group isomerism on fine-tuning of energetic compounds: Isomeric N2O2CH3 groups as a key structural motif
FirePhysChem. 2025. DOI: 10.1016/j.fpc.2025.12.001 OpenAlex

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