Binding energies of the neutral and ionic clusters of naphthalene in their ground electronic states

被引:35
作者
Fujiwara, T
Lim, EC [1 ]
机构
[1] Univ Akron, Dept Chem, Akron, OH 44325 USA
[2] Univ Akron, Ctr Laser & Opt Spect, Akron, OH 44325 USA
关键词
D O I
10.1021/jp022605i
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The binding energies of the neutral and ionic clusters of naphthalene have been determined from the two-color two-photon measurements of the ionization potentials and appearance potentials. The measured binding energies (DO) of the neutral dimer is significantly smaller than the binding energies (D,) computed by correlated (MP2) quantum chemistry calculations. Interestingly, the experimental binding energy of the naphthalene dimer ion is very close to half the transition energy of its charge resonance absorption band, indicating that the dimer ion is stabilized mostly by charge resonance interactions. The slow increase in the dimer ion current with increasing photon energy, near the threshold of the excimer-mediated photoionization, suggests that the geometry of the dimer ion is significantly different from the sandwich-pair geometry of the excimer. Finally, the measured evaporation energies of the neutral tetramer, trimer ion, and tetramer ion support the trimer core structure of the neutral tetramer and the dimer core structure of the ionic clusters.
引用
收藏
页码:4381 / 4386
页数:6
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