Abstract
European Journal of Mass Spectrometry
Volume 15 Issue 2, Pages 183–188 (2009)
doi: 10.1255/ejms.949
Heat of formation for the benzoyl cation by photoionization mass spectrometry
John C. Traeger
Department of Chemistry, La Trobe University, Victoria 3086, Australia. E-mail: j.traeger@latrobe.edu.au
Dissociative photoionization mass spectrometry has been used to measure the PhCO+ appearance energies for several benzoyl compounds. Based on these threshold measurements, an experimental 298 K heat of formation of 738.8 ∓ 3.3 kJ mol–1 is obtained for the benzoyl cation. The experimental results are supported by high-level ab initio calculations.
Keywords: benzoyl cation, photoionization, heat of formation, appearance energy
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