Assessment of explosive properties of new derivative of tetrazine

This work introduces a novel nitrogen-rich derivatives of tetrazine,i.e. 6,6 -(hexa aza-1,5-diene-1,6-diyl)bis(1,2,4,5-tetrazin-3-amine), as high performance and safe energetic compounds. which are evaluatedand discussed using some reliable models. The predicted properties are also compared with 2,4,6-trinitrotoluene (TNT) and 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) as two well-known melt-castableand high performance explosives, respectively. It is shown that one compound can be seen as interestingorganic explosives with relatively high performance and low sensitivity, which could be used for importantindustrial applications. Since some of the new compounds have a relatively good oxygen balance, thecalculated specific impulses confirm that these compounds can be considered as suitable oxidizers in solidpropellants.

Keywords:

Tetrazine , Nitrogen-rich derivatives , TNT , HMX