Paradigms and paradoxes: a comparison of the enthalpies of formation of trinitromethyl and trimethylmethyl (t-butyl) containing species

Abstract

In a further attempt to understand the interplay of structure and energy of compounds containing nitro groups, the enthalpies of formation of corresponding species with trinitromethyl and trimethylmethyl (t-butyl) groups are compared.

Sodium pentazolate: A nitrogen rich high energy density material

“…Nitrogen-rich high energy density materials (HEDMs) [1][2][3][4] are being explored as new propellants and explosives. Their high energy content is due to the large amount of energy released upon decomposition of single-and/or double-bonded nitrogen in the condensed phase into triple-bonded gas-phase diatomic N 2 molecules.…”

Interplay of thermochemistry and Structural Chemistry, the journal (volume 21, 2010) and the discipline

“…With the explicit purpose to provide better understanding between structure and energy of nitro compounds, Klapötke and Liebman [39] compared the enthalpies of formation of corresponding species with trinitromethyl and trimethylmethyl (t-butyl) groups. That more thermochemical studies on these species are desired is obvious from the analyses during which surprisingly few corresponding pairs for which the data were available were found in the literature.…”

“…Shortening of the carbon-chlorine bond in chloronitromethanes was explained by the changes in the attractive ClÁÁÁO electrostatic interactions. Following up on this investigation of chlorotrinitromethane, Klapötke and Liebman [39] studied the energetics of chlorotrinitromethane and other trinitromethyl derivatives.…”

Study of Furoxan Derivatives for Energetic Applications

“…Nitro-explosives such as 2-methyl-1,3,5-trinitro benzene (TNT), 1,3,5-trinitro-1,3,5-triazinane (RDX) and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX), are the primary pollutants in the explosives industry and military testing of explosives. [1,2] In order to develop environmentally friendly explosives, a number of heterocycle-based energetic compounds were reported and extensively used as high-energy explosives and ingredients of propellants. [3,4] Triazole, tetrazole, tetrazine, furazan and furoxan derivatives are interesting high energy materials due to their high positive heats of formation, high nitrogen content and good thermal stability deriving from their aromaticity.…”

“…[5][6][7] Nowadays, nitrogen-rich heterocyclic compounds have been considered as potential energetic materials due to their high heats of formation and highly endothermic in nature. [1,8] There has been considerable interest in the study of the reactivity and properties of 1,2,4-triazole heterocycles. Triazole possesses high positive heats of formation and high crystal densities, which are important properties for energetic materials applications.…”