Quantum effects in the threshold photoionization and energetics of the benzene-H2O and benzene-D2O complexes: experiment and simulation

A study was conducted to analyze the ionization dynamics of the C6H6-H2O and C6H6-D2O complexes near the ionization threshold. Experiment and molecular dynamics simulations were utilized to carry out the analysis. The neutral benzene-water complexes were prepared in a supersonic expansion of a gas mixture with the vapor pressure of benzene and water in helium. Experimental results identified that the conformations responsible for threshold photoionization correlated with one part of the set of conformations associated with ionization below the dissociation limit.