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dc.contributor.author
Yakimov, Alexander V.
dc.contributor.author
Sushkevich, Vitaly L.
dc.contributor.author
van Bokhoven, Jeroen A.
dc.contributor.author
Copéret, Christophe
dc.date.accessioned
2022-06-17T06:00:33Z
dc.date.available
2022-03-16T03:54:49Z
dc.date.available
2022-06-17T06:00:33Z
dc.date.issued
2022-02-24
dc.identifier.issn
1932-7455
dc.identifier.issn
1932-7447
dc.identifier.other
10.1021/acs.jpcc.1c10026
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/537338
dc.description.abstract
Understanding the structure of Lewis and Brønsted acid sites in zeolites is a key step toward unraveling mechanisms of catalytic reactions, establishing molecular-level structure-activity relationships and thereby rational improvement of their performance. Acid sites are typically studied indirectly, using probe molecules, whose spectroscopic signatures are linked to the nature of specific sites. In this context, carbon monoxide and pyridine (Py) are the most frequently used probe molecules due to their sensitivity toward the nature and strength of surface acid sites. Although infrared and solid-state NMR spectroscopies of adsorbed Py are now widely used, the utilization of carbon monoxide to study surface sites has been mainly limited to infrared spectroscopy. Considering that NMR spectroscopy parameters, such as isotropic chemical shift (δiso) and chemical shift anisotropy (CSA), provide detailed structural information, we have explored the capabilities of low-temperature carbon-13 NMR spectroscopy of adsorbed 13CO on dehydrated mordenite. One-dimensional (1D) and two-dimensional (2D) 13C low-temperature magic-angle spinning NMR spectra show that carbon monoxide interacting with Lewis (LAS) and Brønsted (BAS) acid sites displays distinct 13C NMR signatures, in line with density functional theory (DFT) calculations. Furthermore, {1H}13C HETCOR NMR allows the observation of surface OH groups interacting with CO and points to the spatial proximity (within 1 nm) of BAS to both Si-OH and Al-OH groups, while LAS predominantly comprises the Al-OH group. These observations suggest the formation of defective aluminum sites with one and/or two OH groups bound to aluminum, upon calcination of a NH4-MOR with Si/Al = 6 at high temperature (580 °C). The NMR protocol discussed is perfectly suited to explore the surface sites of other solid materials.
en_US
dc.language.iso
en
en_US
dc.publisher
American Chemical Society
en_US
dc.title
Probing Acid Sites in MOR Zeolite Using Low-Temperature 13C Solid-State NMR Spectroscopy of Adsorbed Carbon Monoxide
en_US
dc.type
Journal Article
dc.date.published
2022-02-16
ethz.journal.title
The Journal of Physical Chemistry C
ethz.journal.volume
126
en_US
ethz.journal.issue
7
en_US
ethz.journal.abbreviated
J. Phys. Chem. C
ethz.pages.start
3681
en_US
ethz.pages.end
3687
en_US
ethz.identifier.wos
ethz.identifier.scopus
ethz.publication.place
Washington, DC
en_US
ethz.publication.status
published
en_US
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02513 - Laboratorium für Anorganische Chemie / Laboratory of Inorganic Chemistry::03872 - Copéret, Christophe / Copéret, Christophe
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02516 - Inst. f. Chemie- und Bioingenieurwiss. / Inst. Chemical and Bioengineering::03746 - Van Bokhoven, Jeroen A. / Van Bokhoven, Jeroen A.
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02513 - Laboratorium für Anorganische Chemie / Laboratory of Inorganic Chemistry::03872 - Copéret, Christophe / Copéret, Christophe
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02516 - Inst. f. Chemie- und Bioingenieurwiss. / Inst. Chemical and Bioengineering::03746 - Van Bokhoven, Jeroen A. / Van Bokhoven, Jeroen A.
ethz.date.deposited
2022-03-16T03:55:00Z
ethz.source
SCOPUS
ethz.eth
yes
en_US
ethz.availability
Metadata only
en_US
ethz.rosetta.installDate
2022-06-17T06:00:40Z
ethz.rosetta.lastUpdated
2023-02-07T03:35:01Z
ethz.rosetta.versionExported
true
ethz.COinS
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