Počet záznamů: 1
Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study
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SYSNO ASEP 0100891 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study Title Charakterizace bazických pozic v ZSM-5 pomocí molekuly pyrrolu: kombinovaná FTIR a teoretická studie Author(s) Kučera, Jan (UOCHB-X)
Nachtigall, Petr (UFCH-W)
Kotrla, Josef (UFCH-W)
Košová, Gabriela (UFCH-W)
Čejka, Jiří (UFCH-W) RID, ORCID, SAISource Title Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106
Roč. 108, - (2004), s. 16012-16022Number of pages 11 s. Language eng - English Country US - United States Keywords basicity ; zeolite ; DFT calculations Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects LN00A032 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) IAA4040001 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z4055905 - UOCHB-X AV0Z4040901 - UFCH-W Annotation The interaction of pyrrole with alkali metal ion exchanged ZSM-5 (Li+, Na+, K+, Rb+, and Cs+) was studied by the combination of FTIR spectroscopy and the computational hybrid quantum mechanics/interatomic potential function method describing the role of the aluminum framework content and aluminum distribution, pyrrole coverage, cation size, and cation coordination type. The experimental spectral characteristics were explained using the comparison with the results of computational study Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2005
Počet záznamů: 1