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Mass-analyzed threshold ionization of the trans-1-naphthol-water complex: Assignment of vibrational modes, ionization energy, and binding energy
被引:17
作者:
Braun, JE
[1
]
Neusser, HJ
[1
]
机构:
[1] Tech Univ Munich, Inst Phys & Theoret Chem, D-85748 Garching, Germany
关键词:
D O I:
10.1021/jp0304677
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:
Naphthol is a prototype example for the enhancement of the molecule-to-sol vent proton transfer after electronic excitation. In this work, we investigate the influence of water molecules attached to naphthol on the spectroscopic properties of the neutral excited-state S-1 and the ionic state. In addition to S-1<--S-0 spectra, we present mass-analyzed threshold ionization (MATI) spectra for 1-naphthol and for the first time of the 1-naphthol.H2O complex displaying a rich variety of intra- and intermolecular vibrational bands. The comparison of ionic spectra measured via different intermediate states allows us to assign various vibrational modes in the monomer and the 1-naphthol.H2O Cluster assuming a Deltanu = 0 propensity rule. Assignment is also based on the energies and atomic displacement patterns of vibrations calculated from ab initio theory.
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页码:10667 / 10673
页数:7
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