Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5395204 | Computational and Theoretical Chemistry | 2011 | 4 Pages |
Abstract
The minimum-energy structure, vibrational frequencies, and thermodynamic properties of carbonyl diazide, OC(N3)2, have been determined using Gaussian-X compound methods. At â¼75% nitrogen by mass, carbonyl diazide can be considered a “green” high energy material because of the low amount of carbon-containing decomposition products it makes. Our calculations indicate that carbonyl diazide has a significantly high enthalpy of formation, but its specific enthalpy of decomposition is commensurate with current high energy materials.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
David W. Ball,