Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate.

ABSTRACT

The molecular and crystal structure of 1H-1,2,4-triazolium perchlorate, C2H4N3+·ClO4-, was determined as detailed crystallographic data had not been available previously. The structure has monoclinic (P21/m) symmetry. It is of interest in the field of energetic compounds because nitrogen-rich azoles are the backbone of high-density energetic compounds, and salt-based energetic materials can exhibit preferential energy-release behaviour. The bond angles of the 1,2,4-triazolium cation in this study were similar to those of a cationic triazole ring reported previously and were different from those of the neutral triazole ring. This study contributes to the available data that can be used to analyse the relationship between the structures and properties of energetic materials.