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Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites
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SYSNO ASEP 0360036 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites Author(s) Dědeček, Jiří (UFCH-W) RID, ORCID
Lucero, Melissa Jeanine (UFCH-W)
Li, Chengbin (UFCH-W)
Gao, Fei (UFCH-W)
Klein, Petr (UFCH-W) RID, ORCID
Urbanová, Martina (UFCH-W)
Tvarůžková, Zdenka (UFCH-W) RID
Sazama, Petr (UFCH-W) RID, ORCID
Sklenák, Štěpán (UFCH-W) RID, ORCID, SAISource Title Journal of Physical Chemistry C. - : American Chemical Society - ISSN 1932-7447
Roč. 115, č. 22 (2011), s. 11056-11064Number of pages 9 s. Language eng - English Country US - United States Keywords ferrierites ; zeolites ; aluminosilicates Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400400812 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) IAA400400908 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) IAA400400904 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) GA203/09/1627 GA ČR - Czech Science Foundation (CSF) GP203/08/P593 GA ČR - Czech Science Foundation (CSF) KAN100400702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000291079900018 DOI 10.1021/jp200310b Annotation We present a multistep method combining multispectroscopic experiments with DFT calculations to determine the complete Al distribution in silicon-rich zeolites, independent of the presence of Al–O–(Si–O)n–Al (n = 1, 2) sequences in their frameworks. 29Si MAS NMR spectroscopy is employed to confirm the absence of Al–O–Si–O–Al in the framework of silicon-rich zeolites while 27Al 3Q MAS NMR spectroscopy and DFT computations of 27Al isotropic chemical shifts serve to determine the locations of isolated Al atoms. The maximum ion-exchange capacity of zeolites for [Co2+(H2O)6]2+ reveals the presence of close Al atoms (i.e., those Al atoms which are able to balance [Co2+(H2O)6]2+ ions). Then visible spectroscopy of the bare Co(II) ion in the dehydrated zeolite of the samples with close Al is utilized to identify the locations of the corresponding Al–O–(Si–O)2–Al pairs in a ring. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2012
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