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Experimental and theoretical study of 2,6-difluorophenylnitrene, its radical cation, and their rearrangement products in argon matrices

  • Carra, Claudio Department of Chemistry, University of Fribourg, Switzerland - USRA, Houston, USA
  • Nussbaum, Rafael Department of Chemistry, University of Fribourg, Switzerland
  • Bally, Thomas Department of Chemistry, University of Fribourg, Switzerland
    2006
Published in:
  • ChemPhysChem. - 2006, vol. 7(6), no. 1268-1275
English 2,6-Difluorophenylnitrene was reinvestigated both experimentally, in Ar matrices at 10 K, and computationally, by DFT and CASSCF/CASPT2 calculations. Almost-pure samples of both neutral rearrangement products (the bicyclic azirine and the cyclic ketenimine) of a phenylnitrene were prepared and characterized for the first time. These samples were then subjected to X-irradiation in the presence... Show more…
Faculty
Faculté des sciences
Department
Chimie
Language
  • English
Classification
Chemistry
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/300120
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