Title

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.

DOI

10.1016/j.theochem.2008.07.022

Volume

866

Issue

1-3