Cu carbonyls enhance the performance of Ru-based SILP water-gas shift catalysts: a combined in situ DRIFTS and DFT study

Blaumeiser D, Stepic R, Wolf P, Wick C, Haumann M, Wasserscheid P, Smith DM, Smith AS, Bauer T, Libuda J (2020)

Publication Type: Journal article

Publication year: 2020

Journal

Catalysis: Science and Technology Royal Society of Chemistry

Book Volume: 10

Pages Range: 252-262

Journal Issue: 1

DOI: 10.1039/c9cy01852b

Abstract

Ru-based supported ionic liquid phase (SILP) catalysts efficiently promote the water-gas shift reaction (WGSR). The addition of CuCl further improves the performance. This is attributed to the formation of labile Cu carbonyl species, which act as CO shuttles in the ionic liquid (IL) phase. We apply in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) to monitor the formation of these Cu carbonyls in an imidazolium-based SILP system. To aid the identification of the relevant Cu carbonyls, we perform density functional theory (DFT) calculations. In the present study, we investigate [Ru(CO)(3)Cl-2](2)/CuCl/[C(4)C(1)C(1)Im]Cl/Al2O3 and CuCl/[C(4)C(1)C(1)Im]Cl/Al2O3 with various CuCl : IL ratios. The relevant Cu carbonyls are identified as neutral CuCl monomers and dimers, as well as monoanionic monomers and dimers. Moreover, we demonstrate that the ratio of the individual Cu carbonyl species depends on the CuCl : IL ratio.

Authors with CRIS profile

Dominik Blaumeiser Lehrstuhl für Katalytische Grenzflächenforschung Robert Stepic Physics Underlying Life Science (PULS) Patrick Wolf Lehrstuhl für Chemische Reaktionstechnik (CRT) Christian Wick Physics Underlying Life Science (PULS) Marco Haumann Lehrstuhl für Chemische Reaktionstechnik (CRT) Peter Wasserscheid Lehrstuhl für Chemische Reaktionstechnik (CRT) Ana-Suncana Smith Physics Underlying Life Science (PULS) Tanja Retzer Lehrstuhl für Katalytische Grenzflächenforschung Jörg Libuda Lehrstuhl für Katalytische Grenzflächenforschung

Involved external institutions

Rudjer Boskovic Institute (RBI) / Institut Ruđer Bošković (IRB) HR Croatia (HR)

How to cite

APA:

Blaumeiser, D., Stepic, R., Wolf, P., Wick, C., Haumann, M., Wasserscheid, P.,... Libuda, J. (2020). Cu carbonyls enhance the performance of Ru-based SILP water-gas shift catalysts: a combined in situ DRIFTS and DFT study. Catalysis: Science and Technology, 10(1), 252-262. https://doi.org/10.1039/c9cy01852b

MLA:

Blaumeiser, Dominik, et al. "Cu carbonyls enhance the performance of Ru-based SILP water-gas shift catalysts: a combined in situ DRIFTS and DFT study." Catalysis: Science and Technology 10.1 (2020): 252-262.

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