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The infrared spectrum of the benzoyl cation

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
367
Identifiers
DOI: 10.1016/s0009-2614(02)01799-2
Disciplines
  • Physics

Abstract

Abstract The vibrational spectrum of the gas phase benzoyl cation (C 6H 5CO +) in the 500–2500 cm −1 range is presented. Vapor phase benzoic acid is photolyzed/photoionized using an ArF excimer laser and the resulting ionic fragments are stored in a quadrupole ion trap. The benzoyl cation is subsequently isolated and its infrared spectrum is recorded through multiple photon dissociation spectroscopy with a free electron laser. Density functional calculations predict a C 2v structure for the benzoyl cation, which is in good agreement with the observed spectrum.

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