Adsorption and reaction of terephthaloyl chloride on Ag(111): X-ray photoelectron spectroscopy and density functional theory investigations
Schmid M, Hieringer W, Schmitz CH, Steinrück HP, Sokolowski M, Gottfried M (2011)
Publication Type: Journal article
Publication year: 2011
Journal
Original Authors: Schmid M., Hieringer W., Schmitz C.H., Steinrück H.-P., Sokolowski M., Gottfried J.M.
Publisher: American Chemical Society
Book Volume: 115
Pages Range: 14869-14875
Journal Issue: 30
DOI: 10.1021/jp2033017
Abstract
The adsorption and reaction of terephthaloyl chloride (TPC) on a Ag(111) surface was investigated with X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations. Below 120 K, TPC forms multilayers without reacting with the Ag(111) substrate. Multilayer desorption starts above 120 K and is accompanied by a chemical reaction between the TPC molecules and the Ag surface. This reaction involves scission of the carbon-chlorine bond, resulting in the formation of adsorbed chlorine atoms and a p-phenylene dicarbonyl (pPDC) species. This molecular fragment is stable at room temperature and does not undergo further decomposition, presumably due to stabilization by adsorbate-substrate interactions and/or oligomerization. The DFT calculations confirm that pPDC is a possible intermediate or final reaction product and show that the two carbonyl C atoms form covalent bonds to the Ag substrate. © 2011 American Chemical Society.
Authors with CRIS profile
Martin Schmid
Lehrstuhl für Physikalische Chemie II
Wolfgang Hieringer
Lehrstuhl für Theoretische Chemie
Hans-Peter Steinrück
Lehrstuhl für Physikalische Chemie II
Michael Gottfried
Naturwissenschaftliche Fakultät
Additional Organisation(s)
Involved external institutions
Germany (DE)How to cite
APA:
Schmid, M., Hieringer, W., Schmitz, C.H., Steinrück, H.-P., Sokolowski, M., & Gottfried, M. (2011). Adsorption and reaction of terephthaloyl chloride on Ag(111): X-ray photoelectron spectroscopy and density functional theory investigations. Journal of Physical Chemistry C, 115(30), 14869-14875. https://dx.doi.org/10.1021/jp2033017
MLA:
Schmid, Martin, et al. "Adsorption and reaction of terephthaloyl chloride on Ag(111): X-ray photoelectron spectroscopy and density functional theory investigations." Journal of Physical Chemistry C 115.30 (2011): 14869-14875.
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