Cyclic Diamines as Potential High Energy Materials. Thermochemical Properties of Diaziridine, 1,2-Diazetidine, and 1,3-Diazetidine
Document Type
Article
Publication Date
10-7-2005
Publication Title
Journal of Molecular Structure - THEOCHEM
Abstract
As part of a series of investigations into unusual molecules of potential application to high-energy materials, we performed a series of calculations to determine the optimized structures, vibrational frequencies, and fundamental thermodynamic properties of three saturated cyclic molecules that have two nitrogen atoms: diaziridine 1,2-diazetidine and 1,3-diazetidine G2, G3, and two complete basis set methods were used.
Recommended Citation
Gessner, K. J.; Ball, D. W. Cyclic diamines as potential high energy materials. Thermochemical properties of diaziridine, 1,2-diazetidine, and 1,3-diazetidine. Journal of Molecular Structure: THEOCHEM 2005, 730, 95-103.
DOI
10.1016/j.theochem.2005.06.007
Volume
730
Issue
1-3
