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

✍ Scribed by R. Flammang; M. Plisnier; G. Bouchoux; Y. Hoppilliard; S. Humbert; C. Wentrup

Publisher
John Wiley and Sons
Year
1992
Tongue
English
Weight
837 KB
Volume
27
Category
Article
ISSN
1076-5174

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✦ Synopsis

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 pyro- lysis and ab initiu 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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