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

• Published in: Chemical physics letters Vol. 316; no. 1; pp. 94 - 100
• Main Authors: Satta, M., Latini, A., Piccirillo, S., Di Palma, T.M., Scuderi, D., Speranza, M., Giardini, A.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 07-01-2000
• Subjects: Cluster; Laser; REMPI spectroscopy; Supersonic beam; Cluster; REMPI spectroscopy; Supersonic beam; Laser
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/S0009-2614(99)01222-1

Isolated hydrated clusters of chiral R(+)-1-phenyl-1-propanol have been studied in a supersonic molecular beam by means of one- and two-color resonant two-photon ionization mass-resolved spectroscopy. Excitation and threshold ionization spectra have been determined for monohydrated clusters together with the electronic ground state binding energy. Cluster spectra have been analyzed with the aid of ab initio molecular orbital calculations conducted at the B3LYP/6-31G
∗∗ level of the theory. The analysis gives information on the cluster structures and the binding energies.