CO chemisorption on the surfaces of the golden cages

Wei Huang, Satya Bulusu, Rhitankar Pal, Xiao Cheng Zeng, Lai Sheng Wang

Research output: Contribution to journalArticle

37 Citations (Scopus)

Abstract

We report a joint experimental and theoretical study of CO chemisorption on the golden cages. We find that the Au17- cage is highly robust and retains its cage structure in Au17(CO)-. On the other hand, the Au16- cage is transformed to a structure similar to Au17- upon the adsorption of CO. Au 18- is known to consist of two nearly degenerate structures, i.e., a cage and a pyramidal isomer, which coexist in the cluster beam. However, upon CO chemisorption only the cage isomer is observed while the pyramidal isomer no longer exists due to its less favorable interaction with CO, compared to the cage isomer. We find that inclusion of the spin-orbit effects is critical in yielding simulated spectra in quantitative agreement with the experimental data and providing unequivocal structural information and molecular insights into the chemical interactions between CO and the golden cages.

Original languageEnglish (US)
Article number234305
JournalJournal of Chemical Physics
Volume131
Issue number23
DOIs
StatePublished - Dec 1 2009

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Carbon Monoxide
Chemisorption
chemisorption
isomers
Isomers
interactions
inclusions
orbits
adsorption
Orbits
Adsorption

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

CO chemisorption on the surfaces of the golden cages. / Huang, Wei; Bulusu, Satya; Pal, Rhitankar; Zeng, Xiao Cheng; Wang, Lai Sheng.

In: Journal of Chemical Physics, Vol. 131, No. 23, 234305, 01.12.2009.

Research output: Contribution to journalArticle

Huang, Wei ; Bulusu, Satya ; Pal, Rhitankar ; Zeng, Xiao Cheng ; Wang, Lai Sheng. / CO chemisorption on the surfaces of the golden cages. In: Journal of Chemical Physics. 2009 ; Vol. 131, No. 23.
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