Molecular product formation from the charge-transfer state of C6H6-I-2

The C6H6 and I-2 molecular product fragments of the C6H6-I-2 charge-transfer state have been investigated. Wavelength resolved studies show considerable rotational excitation of the benzene fragment and corresponding velocity spectra indicate a degree of translational excitation as well, consistent with rapid I-2 bond dissociation in a bent complex. Another product Channel active in the gas phase complex that forms molecular iodine was identified from measurements of kinetic energy release in the I-2 fragment. The reaction mechanism is pictured as a charge-recombination step in the initially excited charge-transfer state, yielding I-2(X (1) Sigma(g)(+)) and C6H6((a) over tilde B-3(1u)). Comparisons are made to corresponding observations for arene-I-2 species in the condensed phase.