Energetics of monohydrated chiral R(+)-1-phenyl-1-propanol: supersonic beam experiments and density functional calculations

Isolated hydrated clusters of the title compd. were studied in a supersonic mol. beam by means of 1- and 2-color resonant 2-photon ionization mass-resolved spectroscopy. Excitation and threshold-ionization spectra were detd. for monohydrated clusters together with the electronic ground-state binding energy. Cluster spectra were analyzed by ab initio MO calcns. at the B3LYP/6-31G** level of the theory. The anal. gives information on the cluster structures and the binding energies.