Summary: 19988 Phys. Chem. Chem. Phys., 2011, 13, 19988­19996 This journal is c the Owner Societies 2011
Cite this: Phys. Chem. Chem. Phys., 2011, 13, 19988­19996
Acetone adsorption on ice investigated by X-ray spectroscopy and density
functional theoryw
D. E. Starr,za
D. Pan,yb
J. T. Newberg,a
M. Ammann,c
E. G. Wang,d
A. Michaelides*e
and H. Bluhm*a
Received 10th May 2011, Accepted 30th September 2011
DOI: 10.1039/c1cp21493d
Using a combination of X-ray photoemission and near-edge X-ray absorption spectroscopy
(NEXAFS) as well as density-functional theory (DFT), we have investigated the adsorption of
acetone on ice in the temperature range from 218 to 245 K. The adsorption enthalpy determined
from experiment (45 kJ molÀ1
) agrees well with the adsorption energy predicted by theory
(41 to 44 kJ molÀ1
). Oxygen K-edge NEXAFS spectra indicate that the presence of acetone at the

Source: Alavi, Ali - Department of Chemistry, University of Cambridge

Collections: Chemistry