Letter: Mechanism of the reaction C

₂H₅⁺ --> C₂H₃⁺ + H₂

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Eur. J. Mass Spectrom. 3, 403 - 405 (1997)

Letter: Mechanism of the reaction C₂H₅⁺ --> C₂H₃⁺ + H₂

Einar Uggerud
Department of Chemistry, University of Oslo, PO Box 1033 Blindern, N-0315 Oslo, Norway.

ABSTRACT:

An ab initio quantum chemical model of the title reaction is presented. The structural and energetic features of the found transition structure are in agreement with experiment. In particular, the negligible translational energy release can be accounted for in qualitative terms.

Keywords: mass spectrometry, metastable ions, quantum chemistry, unimolecular, ethyl cation, vinyl cation, translational energy release, loss of hydrogen.

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