Campus Units
Chemistry
Document Type
Article
Publication Version
Published Version
Publication Date
7-2005
Journal or Book Title
Journal of Physical Chemistry A
Volume
109
Issue
32
First Page
7285
Last Page
7295
DOI
10.1021/jp058149q
Abstract
The energetic ionic liquids formed by the 1,2,4-triazolium cation family and dinitramide anion are investigated by ab initio quantum chemistry calculations, to address the following questions: How does substitution at the triazolium ring's nitrogen atoms affect its heat of formation, and its charge delocalization? What kind of ion dimer structures might exist? And, do deprotonation reactions occur, as a possible first step in the decomposition of these materials?
Rights
Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.
Language
en
File Format
application/pdf
Recommended Citation
Schmidt, Michael; Gordon, Mark S.; and Boatz, Jerry A., "Triazolium-Based Energetic Ionic Liquids" (2005). Chemistry Publications. 450.
https://lib.dr.iastate.edu/chem_pubs/450
Included in
Inorganic Chemistry Commons, Organic Chemistry Commons, Other Chemistry Commons, Polymer Chemistry Commons
Comments
This article is from Journal of Physical Chemistry A 109 (2005): 7285, doi:10.1021/jp058149q.