The Degradation of the 2‑Hydroxyethylhydrazinium\nNitrate Ionic Liquid System

The\nmechanism by which the 2-hydroxyethylhydrazinium nitrate (HEHN)\nionic liquid (IL) dissociates via the formation and loss of nitric\nacid is investigated utilizing the effective fragment potential (EFP)\nmethod and various <i>ab initio</i> methods. Additionally,\nthe interactions that dictate the stability of the HEHN IL and contribute\nto the formation of nitric acid are further assessed using the quasi-atomic\norbital (QUAO) bonding analysis. From this work, it is suggested that\nthe formation of nitric acid is dictated by the presence of hydrogen-bonding\ninteractions which appear to become increasingly ionic in nature as\nthe system approaches the bulk, limiting the formation of nitric acid.