Unimolecular chemistry of oxazole and isoxazole radical cations in the gas phase: Combined experimental and molecular orbital study

@article{Flammang1992UnimolecularCO,
  title={Unimolecular chemistry of oxazole and isoxazole radical cations in the gas phase: Combined experimental and molecular orbital study},
  author={Robert A. Flammang and Michel Plisnier and Guy Bouchoux and Yannik Hoppilliard and S. Humbert and Curt Wentrup},
  journal={Journal of Mass Spectrometry},
  year={1992},
  volume={27},
  pages={317-325}
}
Molecular radical cations of oxazole (1) and isoxazole (2) dissociate by losing carbon monoxide or a hydrogen atom, respectively. These fragmentations were examined by use of tandem mass spectrometry, flash vacuum pyrolysis and ab initio molecular orbital calculations. A multi-step mechanism is proposed which incorporates these new experimental and theoretical data. The case of methylated homologues of 1 and 2 is also considered. 
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3.03 – Isoxazoles

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