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  Adsorption of acrolein, propanal, and allyl alcohol on Pd(111): a combined infrared reflection–absorption spectroscopy and temperature programmed desorption study

Dostert, K.-H., O'Brien, C., Mirabella, F., Ivars Barcelo, F., & Schauermann, S. (2016). Adsorption of acrolein, propanal, and allyl alcohol on Pd(111): a combined infrared reflection–absorption spectroscopy and temperature programmed desorption study. Physical Chemistry Chemical Physics, 18(20), 13960-13973. doi:10.1039/c6cp00877a.

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 Creators:
Dostert, Karl-Heinz1, Author              
O'Brien, Casey1, Author              
Mirabella, Francesca1, Author              
Ivars Barcelo, Francisco1, Author              
Schauermann, Swetlana1, 2, Author              
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1Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              
2Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, ou_persistent22              

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 Abstract: Atomistic-level understanding of the interaction of α,β-unsaturated aldehydes and their derivatives with late transition metals is of fundamental importance for the rational design of new catalytic materials with the desired selectivity towards C=C vs. C=O bond partial hydrogenation. In this study, we investigate the interaction of acrolein, and its partial hydrogenation products propanal and allyl alcohol, with Pd(111) as a prototypical system. A combination of infrared reflection–absorption spectroscopy (IRAS) and temperature programmed desorption (TPD) experiments was applied under well-defined ultrahigh vacuum (UHV) conditions to obtain detailed information on the adsorption geometries of acrolein, propanal, and allyl alcohol as a function of coverage. We compare the IR spectra obtained for multilayer coverages, reflecting the molecular structure of unperturbed molecules, with the spectra acquired for sub-monolayer coverages, at which the chemical bonds of the molecules are strongly distorted. Coverage-dependent IR spectra of acrolein on Pd(111) point to the strong changes in the adsorption geometry with increasing acrolein coverage. Acrolein adsorbs with the C=C and C=O bonds lying parallel to the surface in the low coverage regime and changes its geometry to a more upright orientation with increasing coverage. TPD studies indicate decomposition of the species adsorbed in the sub-monolayer regime upon heating. Similar strong coverage dependence of the IR spectra were found for propanal and allyl alcohol. For all investigated molecules a detailed assignment of vibrational bands is reported.

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 Dates: 2016-02-072016-04-192016-05-062016-05-28
 Publication Status: Published in print
 Pages: 14
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/c6cp00877a
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Project name : ENREMOS - Enantioselective Reactions on Model Chirally Modified Surfaces
Grant ID : 335205
Funding program : Funding Programme 7 (FP7)
Funding organization : European Commission (EC)

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Title: Physical Chemistry Chemical Physics
  Abbreviation : Phys. Chem. Chem. Phys.
Source Genre: Journal
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Publ. Info: Cambridge, England : Royal Society of Chemistry
Pages: 14 Volume / Issue: 18 (20) Sequence Number: - Start / End Page: 13960 - 13973 Identifier: ISSN: 1463-9076
CoNE: https://pure.mpg.de/cone/journals/resource/954925272413_1