A combined infrared photodissociation and theoretical study of the interaction of ethanol with small gold clusters

Geoffrey M. Koretsky, Mark B. Knickelbein, Roger Rousseau, Dominik Marx

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The infrared photodissociation spectra of Aun(C2H5OH)m (n = 3, 9, 11; m = 1-4) complexes have been recorded in the 9-11 μm region. The ethanol vibrational band frequencies are observed to be invariant with the size of the underlying gold clusters, indicating that local, rather than global, interactions determine the frequency shifts from the gas-phase values. Experimental results are compared with electronic structure calculations for both Au3(C2H5OH) and Au3(CH3OH). From these calculations a model for the binding of the single alcohol to the gold cluster is proposed which qualitatively accounts for many of the experimental observations.

Original languageEnglish
Pages (from-to)11197-11203
Number of pages7
JournalJournal of Physical Chemistry A
Issue number50
Publication statusPublished - Dec 20 2001


ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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