- Pyrrole as a probe molecule for characterization of basic sites in ZS…
Počet záznamů: 1  

Pyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study

  1. 1.
    SYSNO ASEP0100891
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JOstatní články
    TitlePyrrole as a probe molecule for characterization of basic sites in ZSM-5: A combined FTIR spectroscopy and computional study
    TitleCharakterizace 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, SAI
    Source TitleJournal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106
    Roč. 108, - (2004), s. 16012-16022
    Number of pages11 s.
    Languageeng - English
    CountryUS - United States
    Keywordsbasicity ; zeolite ; DFT calculations
    Subject RIVCF - Physical ; Theoretical Chemistry
    R&D ProjectsLN00A032 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
    IAA4040001 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
    CEZAV0Z4055905 - UOCHB-X
    AV0Z4040901 - UFCH-W
    AnnotationThe 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
    WorkplaceInstitute of Organic Chemistry and Biochemistry
    Contactasep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418
    Year of Publishing2005
Počet záznamů: 1  

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