화학공학소재연구정보센터
Chemical Physics Letters, Vol.367, No.5-6, 576-580, 2003
The infrared spectrum of the benzoyl cation
The vibrational spectrum of the gas phase benzoyl cation (C6H5CO+) 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. (C) 2002 Elsevier Science B.V. All rights reserved.