Al Organization in the SSZ-13 Zeolite. Al Distribution and Extraframework Sites of Divalent Cations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F19%3A00503931" target="_blank" >RIV/61388955:_____/19:00503931 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0295697" target="_blank" >http://hdl.handle.net/11104/0295697</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.8b07343" target="_blank" >10.1021/acs.jpcc.8b07343</a>
Alternative languages
Result language
angličtina
Original language name
Al Organization in the SSZ-13 Zeolite. Al Distribution and Extraframework Sites of Divalent Cations
Original language description
SSZ-13 is a Si-rich (Si/Al > 5) small pore zeolite (chabazite topology) important for both acid and redox catalysis. Using a sample with Si/Al = 12, a new procedure involving 27Al (3Q) MAS NMR spectroscopy and extensive periodic DFT calculations with molecular dynamics, in addition to the standard methods based on bare Co(II) cations as probes monitored by FTIR spectroscopy and UV-vis spectroscopy, was employed. The placement of the Al-O-(Si-O)2-Al and Al-O-(Si-O)3-Al sequences in the zeolite framework was determined (Al-O-Si-O-Al sequences are absent). 54% of the framework Al atoms correspond to Al-O-(Si-O)3-Al sequences which cannot form cationic sites for bare divalent cations but are able to accommodate divalent Co(II) hexaaqua complexes. The corresponding Al-O-(Si-O)3-Al sequence is located in two double 6-ring cages with one Al located in the 4-ring connecting two double 6-ring units. Our study also reveals that 35% of the framework Al atoms can accommodate neither divalent Co(II) hexaaqua complexes nor bare divalent cations. Furthermore, the siting of the Al atoms of the Al-O-(Si-O)2-Al and Al-O-(Si-O)3-Al sequences forming four cationic sites for divalent cations located in the 6-ring (Al-O-(Si-O)2-Al), 8-ring (Al-O-(Si-O)2-Al and Al-O-(Si-O)3-Al), and double 6-ring (Al-O-(Si-O)2-Al) was determined. These Al atoms correspond to a minority of the Al framework atoms.
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
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
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
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
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Volume of the periodical
123
Issue of the periodical within the volume
13
Country of publishing house
US - UNITED STATES
Number of pages
20
Pages from-to
7968-7987
UT code for WoS article
000463844500046
EID of the result in the Scopus database
2-s2.0-85056707231