Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES

Getsoian, Andrew; Das, Ujjal; Camacho-Bunquin, Jeffrey; Zhang, Guanghui; Gallagher, James R.; Hu, Bo; Cheah, Singfoong; Schaidle, Joshua A.; Ruddy, Daniel A.; Hensley, Jesse E.; Krause, Theodore R.; Curtiss, Larry A.; Miller, Jeffrey T.; Hock, Adam S.

doi:10.1039/c6cy00698a

Title: Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES

Journal Article · Mon Jun 13 04:00:00 UTC 2016 · Catalysis Science and Technology

DOI: https://doi.org/10.1039/c6cy00698a · OSTI ID:1362118

Getsoian, Andrew "Bean" ^[1]; Das, Ujjal ^[1]; Camacho-Bunquin, Jeffrey ^[1]; Zhang, Guanghui ^[2]; Gallagher, James R. ^[1]; Hu, Bo ^[2]; Cheah, Singfoong ^[3]; Schaidle, Joshua A. ^[3]; Ruddy, Daniel A. ^[3]; Hensley, Jesse E. ^[3]; Krause, Theodore R. ^[1]; Curtiss, Larry A. ^[1]; Miller, Jeffrey T. ^[4]; Hock, Adam S. ^[2]

Argonne National Lab. (ANL), Lemont, IL (United States)
Argonne National Lab. (ANL), Lemont, IL (United States); Illinois Inst. of Technology, Chicago, IL (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Argonne National Lab. (ANL), Lemont, IL (United States); Purdue Univ., West Lafayette, IN (United States)

Gallium-modified zeolites are known catalysts for the dehydrogenation of alkanes, reactivity that finds industrial application in the aromatization of light alkanes by Ga-ZSM5. While the role of gallium cations in alkane activation is well known, the oxidation state and coordination environment of gallium under reaction conditions has been the subject of debate. Edge shifts in Ga K-edge XANES spectra acquired under reaction conditions have long been interpreted as evidence for reduction of Ga(III) to Ga(I). However, a change in oxidation state is not the only factor that can give rise to a change in the XANES spectrum. In order to better understand the XANES spectra of working catalysts, we have synthesized a series of molecular model compounds and grafted surface organometallic Ga species and compared their XANES spectra to those of gallium-based catalysts acquired under reducing conditions. We demonstrate that changes in the identity and number of gallium nearest neighbors can give rise to changes in XANES spectra similar to those attributed in literature to changes in oxidation state. Specifically, spectral features previously attributed to Ga(I) may be equally well interpreted as evidence for low-coordinate Ga(III) alkyl or hydride species. Furthermore, these findings apply both to gallium-impregnated zeolite catalysts and to silica-supported single site gallium catalysts, the latter of which is found to be active and selective for dehydrogenation of propane and hydrogenation of propylene.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Scientific User Facilities Division; National Renewable Energy Laboratory (NREL); Illinois Institute of Technology; Purdue University. School of Chemical Engineering

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1362118

Journal Information:: Catalysis Science and Technology, Journal Name: Catalysis Science and Technology Journal Issue: 16 Vol. 6; ISSN CSTAGD; ISSN 2044-4753

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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In situ XANES Spectroscopic Investigation of the Pre-Reduction of Iron-Based Catalysts for Non-Oxidative Alkane Dehydrogenation

Journal Article · Tue Jan 01 04:00:00 UTC 2008 · Energy and Fuels · OSTI ID:980259

Huggins, F; Shen, W; Cprek, N; +3 more

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
EXAFS
XANES
alkane dehydrogenation
gallium
model compounds
single site catalysts

Title: Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES

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