Organic Chlorate and Perchlorate Derivatives as High Energy Materials: High-Level Computations on Methyl Chlorate and Methyl Perchlorate
Document Type
Article
Publication Date
10-15-2008
Publication Title
Journal of Molecular Structure - THEOCHEM
Abstract
Although chlorate and perchlorate are well known as oxidizers, the study of organic chlorate and perchlorate compounds as potential high energy materials has not been explored. Here, we present molecular properties, including enthalpies of formation and decomposition, of methyl chlorate and methyl perchlorate. Both isomers of methyl chlorate – the Cl-bonded and the O-bonded – were examined.
Recommended Citation
Brunswick, S. L.; Ball, D. W. Organic chlorate and perchlorate derivatives as high energy materials: High-level computations on methyl chlorate and methyl perchlorate. Journal of Molecular Structure: THEOCHEM 2008, 866, 1-4.
DOI
10.1016/j.theochem.2008.07.022
Volume
866
Issue
1-3
