The Bronsted acidity of three- and two-dimensional zeolites
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F19%3A00517552" target="_blank" >RIV/61388955:_____/19:00517552 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11310/19:10403394 RIV/00216275:25310/19:39914316
Result on the web
<a href="http://hdl.handle.net/11104/0302886" target="_blank" >http://hdl.handle.net/11104/0302886</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.micromeso.2019.03.033" target="_blank" >10.1016/j.micromeso.2019.03.033</a>
Alternative languages
Result language
angličtina
Original language name
The Bronsted acidity of three- and two-dimensional zeolites
Original language description
The zeolite activity in processes driven by Bronsted acid sites is determined by the distribution of the protons in the zeolite and strength of their interaction with the framework. This study aims to assess how much the transformation from three-dimensional (3D) bulk zeolite to its corresponding two-dimensional (2D) layered form changes the proton distribution and strength of the proton-framework interaction and thus how much it affects the zeolite Bronsted acid strength. Zeolites with three distinct topologies, MWW, PCR, and MFI, which form also layered analogues with considerably different thickness and silanol density were considered. To probe the Bronsted acidity of both 3D and 2D forms, an array of typical acidity descriptors (i.e., O-H stretching frequency, shift of O-H frequencies upon adsorption of CO probe molecule, C-O stretching frequencies and adsorption enthalpies of the CO adsorption complex) have been evaluated, employing both dispersion-corrected density functional theory and Fourier-transform infrared spectroscopy. Using these descriptors, the Bronsted acidity of 2D form is, on average, the same or just slightly lower than that of the 3D form. Transformation to layered form does affect the proton distribution and values of acidity descriptors for individual T sites, however, if all T sites are considered, the aggregate effect is almost negligible. Hence, these results suggest that a larger effect of the 3D > 2D transformation can be expected for frameworks with fewer distinct T sites.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Microporous and Mesoporous Materials
ISSN
1387-1811
e-ISSN
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Volume of the periodical
282
Issue of the periodical within the volume
JUL 2019
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
12
Pages from-to
121-132
UT code for WoS article
000471206400016
EID of the result in the Scopus database
2-s2.0-85063320728