Theoretical investigations on azole-fused tricyclic 1,2,3,4-tetrazine-2-oxides.

ABSTRACT: Fused compounds, a unique class of large conjugate structures, have emerged as prime candidates over traditional nitrogen-rich mono-ring or poly-ring materials. Meanwhile, compounds containing catenated nitrogen chains have also attracted attention from scientists due to their high heats of formation. On the other hand, the azoxy [-N[double bond, length as m-dash]N(O)-] moiety has been found to increase density effectively in the molecular structure of compounds. Therefore, combining fused heterocyclic organic skeletons with the azoxy moiety can be regarded as an effective method for increasing the density and heat of formation, which results in substantial increase in detonation properties. Based on the above-mentioned considerations, in this study, a series of new non-hydrogen-containing

SUBMITTER: Fei T 

PROVIDER: S-EPMC9083471 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature