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Spectroscopy of Aun, Au20O and Au20O2 Gold Cluster: Structure Identification from IR Spectrumстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Дата последнего поиска статьи во внешних источниках: 14 сентября 2013 г.
- Авторы: Pichugina D.A., Shestakov A.F., Kuz’menko N.E.
- Сборник: PROCEEDINGS OF SPIE - THE INTERNATIONAL SOCIETY FOR OPTICAL ENGINEERING
- Том: 6580
- Год издания: 2006
- Первая страница: 1
- Последняя страница: 6
- DOI: 10.1117/12.724766
- Аннотация: Here we report a systematic theoretical investigation of the vibrational spectra of bare gold clusters Au (from n=3 ton20) 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 Au spectrum (10-200 cm1 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 ofthe structures of oxidized gold clusters.
- Добавил в систему: Пичугина Дарья Александровна