Theoretical and Experimental Study of the Energy and Structure of Fragment Ions Produced by Double Photoionization of Benzene Molecules

Theoretical calculations of the energy and structure of dissociation product ions have been performed to provide detailed information about the dy- namics of the charge separation reactions following the photoionization event of benzene molecules. The calculations are in agreement with the experimental results obtained in a study where a time-of-flight mass spectrometer with a po- sition sensitive ion detector has been used in the dissociative double ionization of benzene by UV synchrotron radiation.