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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

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Dostert,  Karl-Heinz
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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O'Brien,  Casey
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Mirabella,  Francesca
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Ivars Barcelo,  Francisco
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Schauermann,  Swetlana
Chemical Physics, Fritz Haber Institute, Max Planck Society;
Physikalische Chemie, Christian-Albrechts-Universität zu Kiel;

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Citation

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.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002A-EA6D-E
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.