Theoretical Study of High-nitrogen Salts Composed of Ammonium Cations and Pyrazole-derived Anions

Abstract

Aims: Our primary purpose is investigating the critical role of simple ammonium cations, different substituents and their synergetic effect in the design of efficient pyrazole-derived salts. Study Design: The salts composed of pyrazole-derived anions containing different substituents (-NH 2 , -NO 2 , -N 3 , -NF 2 , -CN) with some simple energetic cations (NH 4