Electronic shells or molecular orbitals: Photoelectron spectra of Ag−n clusters | Zendy

H. Handschuh | Zendy; ChiaYen Cha | Zendy; P. S. Bechthold | Zendy; Gerd Ganteför | Zendy; W. Eberhardt | Zendy

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Electronic shells or molecular orbitals: Photoelectron spectra of Ag−n clusters

Author(s) -

H. Handschuh,

ChiaYen Cha,

P. S. Bechthold,

Gerd Ganteför,

W. Eberhardt

Publication year - 1995

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.469356

Subject(s) - spectral line , molecular orbital , cluster (spacecraft) , atomic orbital , electronic structure , atomic physics , ab initio , x ray photoelectron spectroscopy , ab initio quantum chemistry methods , molecular physics , chemistry , computational chemistry , physics , molecule , nuclear magnetic resonance , electron , quantum mechanics , organic chemistry , computer science , programming language

Photoelectron spectra of Ag−n clusters with n=1–21 recorded at different photon energies (hν=4.025, 4.66, 5.0, and 6.424 eV) are presented. Various features in the spectra of Ag−2–Ag−9 can be assigned to electronic transitions predicted from quantum chemical ab initio calculations. While this comparison with the quantum chemical calculations yields a detailed and quantitative understanding of the electronic structure of each individual cluster, a discussion in terms of the shell model is able to explain trends and dominant patterns in the entire series of spectra up to Ag−21.

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