New Potential High-Energy Materials: 1,3-dioxa-2,4-diazetidine, N₂H₂O₂, High-Level Calculations

Authors

Michael F. Breth, Cleveland State University
Karen J. Knaus, Cleveland State University
David W. Ball, Cleveland State UniversityFollow

Document Type

Article

Publication Date

Spring 2006

Publication Title

Journal of Undergraduate Chemistry Research

Abstract

As a follow-up to a study of oxadiaziridine, N₂H₂O, as a
potential high energy density material, we determine the
enthalpies of formation and combustion of a very similar
compound with an oxygen-nitrogen four-membered ring,
1,3-dioxa-2,4-diazetidine, which also would exist as cis and
trans isomers. As a fundamental measure of the reactivity of
N₂H₂O₂, the proton affinities of both isomers were also
determined. Gaussian-2, Gaussian-3, and two complete basis
set methods were used.

Recommended Citation

Michael F. Breth, Karen J. Knaus, David W. Ball, "New Potential High-Energy Materials: 1,3-Dioxa-2,4-diazetidine, N2H2O2. High-Level Calculations" Journal of Undergraduate Chemistry Research 2006, 5, 55 - 60.

Volume

5

Issue

2