Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study

Result code in IS VaVaI

RIV/61388955:_____/08:00315570 - isvavai.cz

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Local geometry of AlO4- and SiO4 tetrahedra in the silicon rich chabasite. A combined high resolution NMR and QM/MM study

Original language description

Local geometry of AlO4 and SiO4 tetrahedra in silicon rich (Si/Al 38) chabasite was investigated using 27Al 3Q and 29Si MAS NMR spectroscopy and QM-Pot calculations. We further studied the effects of (1) Al as nearest neighbor and (2) silanol "nest" on the SiO4 local geometry as well as 29Si NMR chemical shift. Silanol "nests" are a model of a defect (vacant T site after a dealumination) in a zeolite framework.

Czech name

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Czech description

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Type

D - Article in proceedings

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

IAA400400812: Quantum chemistry investigation of inorganic crystalline micro- and mesoporous catalytic systems

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2008

Confidentiality

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

Article name in the collection

Zeolites and Related Materials: Trends, Targets and Challenges

ISBN

978-0-444-53297-8

ISSN

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e-ISSN

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Number of pages

4

Pages from-to

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Publisher name

Elsevier B.V./Ltd

Place of publication

Oxford

Event location

Paris

Event date

Sep 1, 2008

Type of event by nationality

WRD - Celosvětová akce

UT code for WoS article

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