Electronic photodissociation spectroscopy of Aun-•Xe (n=7-11) versus time-dependent density functional theory prediction

被引:65
作者
Gilb, S [1 ]
Jacobsen, K [1 ]
Schooss, D [1 ]
Furche, F [1 ]
Ahlrichs, R [1 ]
Kappes, MM [1 ]
机构
[1] Univ Karlsruhe, Inst Phys Chem, D-76128 Karlsruhe, Germany
关键词
D O I
10.1063/1.1778385
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
Electronic (one-photon) photodepletion spectra were recorded for gold cluster anions complexed with one xenon atom over the photon energy range 2.1-3.4 eV. Clusters were generated by pulsed laser vaporization and probed under collisionless molecular beam conditions. The spectra obtained are highly structured with the narrowest features-assigned to individual electronic transitions-having bandwidths of less than 40 meV. Time-dependent density functional theory predictions of optically allowed transitions for the most stable-planar-isomers of the corresponding bare metal cluster anions are generally consistent with the experimental observation. (C) 2004 American Institute of Physics.
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收藏
页码:4619 / 4627
页数:9
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