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Proceedings Paper

Theoretical Investigation Of Metastable Polymers Of The Nitrogen Oxides
Author(s): Walter H. Jones
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Paper Abstract

For several reasons, the nitrogen oxides are of interest as possible sources of new metastable polymeric materials which form only at high pressures and may possess superior mechanical properties and thermal/electrical conductivities. In this study, molecular electronic structure calculations, both semi-empirical and ab initio, have been conducted for oligomers of NO, N2O and NO2. A number of linear, cyclic, and stacked forms have been identified as local minima on the potential energy hypersurface. Satisfactory agreement with experiment was found for the known (SN)x. Calculations of the kinetics of depolymerization of the nitrogen oxide oligomers, i.e. of the energy barriers surrounding the metastable species, are under way.

Paper Details

Date Published: 3 May 1988
PDF: 11 pages
Proc. SPIE 0878, Multifunctional Materials, (3 May 1988); doi: 10.1117/12.943950
Show Author Affiliations
Walter H. Jones, The University of West Florida (United States)

Published in SPIE Proceedings Vol. 0878:
Multifunctional Materials
Robert L. Gunshor, Editor(s)

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