Cyclic Triamines as Potential High Energy Materials. Thermochemical Properties of Triaziridine and Triazirine

Authors

Anida Karahodza, Cleveland State University
Karen J. Knaus, Cleveland State University
David W. Ball, Cleveland State UniversityFollow

Document Type

Article

Publication Date

11-1-2005

Publication Title

Journal of Molecular Structure - THEOCHEM

Abstract

As part of our survey of potential high-energy materials, we are considering molecules that have relatively high nitrogen content. Such molecules can decompose or combust to make very stable products. Here, we present calculated thermochemical properties of two molecules containing three nitrogen atoms in a ring: triaziridine and triazirine . Gaussian-2 and -3, CBS-APNO, and CBS-QB3 are the high-precision methods used in this study.

Recommended Citation

Karahodza, A.; Knaus, K. J.; Ball, D. W. Cyclic triamines as potential high energy materials. Thermochemical properties of triaziridine and triazirine. Journal of Molecular Structure: THEOCHEM 2005, 732, 47-53.

DOI

10.1016/j.theochem.2005.07.004

Volume

732

Issue

1-3