Preparation and characterization of ethane-1,2-diaminium trinitromethanide as a novel energetic ionic liquid

摘要

In the present research, ethane-1,2-diaminium trinitromethanide ([NH3C2H4NH3][C(NO2)(3)](2)) as a novel energetic dicationic ionic liquid (EDIL) was synthesized in a simple manner. The synthesized ([NH3C2H4NH3][C(NO2)(3)](2)) was characterized using FT-IR, Mass, H-1 NMR, C-13 NMR and DSC analysis. ([NH3C2H4NH3][C(NO2)(3)](2)) showed good thermal stability and decomposition enthalpy, which is significant compared to traditional energetic materials such as 1,3,5-Trinitro-1,3,5-triazinane (RDX) and 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane (HMX). Also, a number of computational approaches such as electrostatic maps, electron density properties, enthalpy of formation and volumetric for ([NH3C2H4NH3][C(NO2)(3)](2)) were explored. The interaction energy and structural parameters of the prepared DIL is estimated at M06-2X/6-311++G (2d,2p) level of theory. (C) 2019 Elsevier B.V. All rights reserved.