Characterization of the Cu+ Sites in MFI Zeolites by CO Probe Molecule: Combined Computational and Experimental Study

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F05%3A00002652" target="_blank" >RIV/00216275:25310/05:00002652 - isvavai.cz</a>

Alternative codes found

RIV/61388963:_____/05:00023574

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Characterization of the Cu+ Sites in MFI Zeolites by CO Probe Molecule: Combined Computational and Experimental Study

Original language description

The site-specificity of the CO probe molecule interaction with the Cu+/MFI system is investigated by a combination of experimental and theoretical techniques. Three Cu+ site types differing in CO adsorption energies (Eads) were identified. Based on a very good agreement of experimental and calculated Eads the detail information about the structure and localization of Cu+ sites in MFI, including information about the localization of framework Al atom, can be obtained. The IR spectra of CO adsorbed on thesame Cu+/MFI samples clearly shows that the CO stretching frequencies are not site-specific in Cu+/MFI system. This conclusion is supported by calculated CO frequencies that do not depend on the Cu+ site type

Czech name

Characterization of the Cu+ Sites in MFI Zeolites by CO Probe Molecule: Combined Computational and Experimental Study

Czech description

Site-specificita interakce CO jako "probe molekuly" s Cu+ MFI zeolitem byla studována kombinací experimentálních i teoretických technik. Tři různá Cu+ centra byl arozlišena pomocí interakčních energií, zatímco vibrace molekul Co studovaná pomocí IČ techniky se ukazala jako nespecifická.

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

<a href="/en/project/LN00A032" target="_blank" >LN00A032: Structure and dynamics of complex molecular systems and biomolecules</a><br>

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2005

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Catal. Today

ISSN

0920-5861

e-ISSN

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Volume of the periodical

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Issue of the periodical within the volume

100

Country of publishing house

CZ - CZECH REPUBLIC

Number of pages

5

Pages from-to

385-389

UT code for WoS article

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EID of the result in the Scopus database

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