Title

New Potential High-energy Materials: Oxadiaziridine, N2H2O. High-level Calculations

Document Type

Article

Publication Date

6-10-2005

Publication Title

Journal of Molecular Structure - THEOCHEM

Abstract

A recent suggestion that oxadiaziridine, N2H2O, might act as a potential high-energy density material prompts us to determine the enthalpies of formation and combustion of the two conformational isomers of this compound. As a fundamental measure of the reactivity of N2H2O, the proton affinity of both isomers was also determined. Gaussian-2, Gaussian-3, and two complete basis set methods were used.

DOI

10.1016/j.theochem.2005.03.011

Volume

724

Issue

1-3