Experimentally observed van der Waals modes and computed structures of benzene–cyclohexane clusters, BCn; n=1–3

One color resonant two-photon ionization spectra have been measured for benzene–(cyclohexane)n clusters, n=1–14. Van der Waals progressions dominate the n=1–3 spectra. Minimum energy structures were calculated for these three clusters via Monte Carlo simulated annealing. The van der Waals modes are analyzed and discussed with reference to cluster structures. Results support generalized cluster aufbau principles that predict maximization of nearest neighbor molecule–molecule interactions.