Abstract: Isomerism has long been recognized as a useful tool for tuning the properties of energetic compounds, and isolated examples of selected energetic isomers are used as components of propellants and explosives (for example, TNT selected from 10 isomeric trinitrotoluenes). Despite promising results, the preparation of collections of energetic isomers consisting of the same number and type of atoms has historically been challenging due to the lack of selective synthetic methodologies. The ever-growing array of available high-nitrogen, active oxygen-rich and strained building blocks, as well as original reagents combined with new effective synthetic methodologies, offers to the chemists wide opportunities to involve the effects of isomerism in the creation of diverse molecular libraries. Researchers should approach the various structure-property relationships that need to be considered with a deep understanding of the potential that isomeric changes can provide. This potential can be realized both by solving energy output issues, by increasing the density and enthalpy of formation, and by changing physicochemical properties such as melting point and decomposition temperature, solubility, compatibility, etc. There are genuine prospects for the creation of improved energetic molecules using isomerism, however the area remains insufficiently developed. This Perspective will try to provide to a researcher a guide to some of the effects that isomerism can have on potential energetic molecules, and to present a gallery of selected diversity of isomers in order to serve as an incentive to further explore the possibilities of isomerism in the discovery of new energetic compounds.

Cite: Sheremetev A.B.
A role for isomerism in energetic compounds: A brief excursus from yesterday to tomorrow
FirePhysChem. 2026. V.6. N5. P.511-519. DOI: 10.1016/j.fpc.2026.03.015 OpenAlex

Dates:

Submitted:	Mar 6, 2026
Accepted:	Mar 31, 2026
Published online:	Apr 1, 2026

Identifiers:

≡ OpenAlex:

W7147392427

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