Normal Coordinate Analysis of 3-Bromo-1,3-Dinitroazetidine |
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| Authors: | Gene A Crowder Robert L McKenney Jr |
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| Institution: | 1. Department of Chemistry Louisiana , Tech University , Ruston , LA , 71272-0001;2. Air Force Research Laboratory/Munitions Directorate Ordnance Division , Energetic Materials Branch , Eglin AFB, FL , 32542-5910 |
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| Abstract: | Abstract The infrared spectrum of 3-bromo-1,3-dinitroazetidine was interpreted with the aid of normal coordinate calculations. A seventy-two parameter modified valence field was used in those calculations, and the observed wave numbers were fit with an average error of 2.5 cm?1. An assignment of the bands in terms of symmetry coordinates is given. Many of the force constants were transferred to 1-acetyl-3,3-dinitroazetidine to aid in normal coordinate calculations for that compound. |
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| Keywords: | 3-Bromo-1 3-dinitroazetidine Normal coordinate calculations Vibrational assignment |
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