UVPES of some aliphatic azides. Part I |
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| Institution: | 1. Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK;2. Department of Chemistry, Lancaster University, Bailrigg, Lancaster LA1 4YP, UK;3. National Nuclear Laboratory, Chadwick House, Warrington Road, Birchwood Park, Warrington WA3 6AE, UK;4. School of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, UK;1. Department of Chemistry, University of California, Berkeley, CA 94720-1460, United States;2. University of Goettingen, Institute of Inorganic Chemistry, Tammannstrasse 4, 37077 Goettingen, Germany;3. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA 94720, United States;4. Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States;1. College of Science & Engineering, James Cook University, Townsville, QLD 4811, Australia;2. School of Chemistry, Monash University, Clayton, Victoria 3800, Australia |
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| Abstract: | Ab-initio calculations for ethyl azide-CH3CH2N3- and azidoacetone-N3CH2COCH3-were performed with the aim of interpreting their ultraviolet photoelectron spectra. Some preliminary results are presented. The first bands of the photoelectron spectra of the azides under study are intense and sharp indicating ionization from a non-bonding orbital. This is in accordance with the performed calculations, which also predict a non-bonding character to the molecular orbitals corresponding to the first ionization energies. Good agreement was also found when comparing the second ionization energies given by the calculations with the second bands of the photoelectron spectra of the molecules. |
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