Binding energies of small benzene clusters

Abstract Dissociation energies for monomer evaporation from neutral and ionized benzene dimer, trimer, tetramer and pentamer are experimentally determined from the measured ionization potentials and the appearance potentials of the respective decay channels of each of the cluster ions. The results strongly support a stable triangular structure for the neutral benzene trimer. By contrast a sandwich-like structure for the trimer ion is concluded. In the latter case the main contribution to the binding energy is from charge-transfer resonance interaction rather than from induction forces of a localized charge with the neutral molecule. This conclusion is supported by the good agreement between the measured relative dependence of the binding energy on the cluster size and the results of Huckel calculations assuming a sandwich structure and a delocalized charge.

[1]  Photoemission yield spectra of solid benzene and toluene , 1975 .

[2]  H. Krause,et al.  Multiphoton ionization and dissociation of mixed van der Waals clusters in a linear reflectron time-of-flight mass spectrometer , 1990 .

[3]  B. Badger,et al.  Formation of Dimer Cations of Aromatic Hydrocarbons , 1968, Nature.

[4]  Y. Öhrn,et al.  Electron propagator calculations of the photoelectron spectrum for open shell molecules with applications to the oxygen molecule , 1975 .

[5]  Friedrich Huisken,et al.  CO2‐laser induced photodissociation studies of size‐selected small benzene clusters , 1990 .

[6]  B. W. V. D. Waal,et al.  Computed structure of small benzene clusters , 1986 .

[7]  W. F. Libby,et al.  Effect of temperature on the mass spectra of benzene at high pressures , 1969 .

[8]  Winston A. Saunders,et al.  Electronic Shell Structure and Abundances of Sodium Clusters , 1984 .

[9]  H. Shinohara,et al.  Excited state lifetimes and appearance potentials of benzene dimer and trimer , 1989 .

[10]  Edward W. Schlag,et al.  Multiphoton mass spectrometry of clusters: dissociation kinetics of the benzene cluster ions , 1988 .

[11]  R. Field,et al.  Fluorescence-based intracavity laser spectroscopy and the electronic structure of NiH , 1990 .

[12]  E. P. Hunter,et al.  Bonding energies in association ions of aromatic compounds. Correlations with ionization energies , 1978 .

[13]  E. W. Schlag,et al.  Ionization-Potential of the Benzene Dimer , 1989 .

[14]  E. W. Schlag,et al.  Ab initio Calculations on the Structure of the Benzene Dimer , 1988 .