Article ID Journal Published Year Pages File Type
5395204 Computational and Theoretical Chemistry 2011 4 Pages PDF
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 ∼75% 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.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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