
Proceedings Paper
Spectroscopy of Aun, Au20O and Au20O2 gold cluster: structure identification from IR spectrumFormat | Member Price | Non-Member Price |
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Paper Abstract
Here we report a systematic theoretical investigation of the vibrational spectra of bare gold clusters Aun (from n=3 to
n=20) and oxidized gold clusters Au200, Au2002. Density Functional Theory (DFT) and SBK basis set (for the effective
core potential with relativistic correction) was used to calculate the structure and vibrational frequencies of gold clusters.
A weak correlation between pattern of Aun spectrum (10-200 cm-1 range) and their structure was found. Calculated IR
spectra of Au200 and Au2002 complexes are strong depend from the their structure and types of 0-Au bonds and can be
used for the identification of the structures of oxidized gold clusters.
Paper Details
Date Published: 12 December 2006
PDF: 5 pages
Proc. SPIE 6580, 15th Symposium on High-Resolution Molecular Spectroscopy, 658003 (12 December 2006); doi: 10.1117/12.724766
Published in SPIE Proceedings Vol. 6580:
15th Symposium on High-Resolution Molecular Spectroscopy
Yurii N. Ponomarev; Semen N. Mikhailenko; Leonid N. Sinitsa, Editor(s)
PDF: 5 pages
Proc. SPIE 6580, 15th Symposium on High-Resolution Molecular Spectroscopy, 658003 (12 December 2006); doi: 10.1117/12.724766
Show Author Affiliations
Dariya A. Pichugina, M.V. Lomonosov Moscow State Univ. (Russia)
Nikolai E. Kuz'menko, M.V. Lomonosov Moscow State Univ. (Russia)
Nikolai E. Kuz'menko, M.V. Lomonosov Moscow State Univ. (Russia)
Alexander F. Shestakov, Institute of Problems of Chemical Physics (Russia)
Published in SPIE Proceedings Vol. 6580:
15th Symposium on High-Resolution Molecular Spectroscopy
Yurii N. Ponomarev; Semen N. Mikhailenko; Leonid N. Sinitsa, Editor(s)
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