PHOTO-DISSOCIATION SPECTROSCOPY OF ALKYLBENZENE CATIONS

Photodissociation spectra of a series of alkylbenzene cations are compared with photoelectron spectra of the corresponding neutral alkylbenzenes and of the corresponding alkanes. It is concluded that the strong photodissociation feature in the visible wavelength region arises from a ring-to-alkyl-group charge transfer transition, and the molecular orbitals responsible for this process are identified in the photoelectron spectra. The nature and large transition moment of the charge transfer process are supported by MINDO/3 calculations. © 1979 American Chemical Society.