Issue 1, 2002
From the journal:

Physical Chemistry Chemical Physics

Determination of the basicity of alkali-exchanged molecular sieves

Georgi N. Vayssilov*ab  and  Notker Rösch*a  

* Corresponding authors

a Institut für Physikalische und Theoretische Chemie, Technische Universität München, 85747 Garching, Germany
E-mail: roesch@ch.tum.de

b Faculty of Chemistry, University of Sofia, 1126 Sofia, Bulgaria
E-mail: gnv@chem.uni-sofia.bg

Abstract

A procedure is proposed to quantify the basicity of zeolite oxygen centers by estimating the proton affinity (PA) of these centers, employing measured IR frequency shifts of the stretching and deformation modes of the OH group of adsorbed methanol. The PA scale is established with the help of density functional theory (DFT) calculated PA values of selected zeolites calibrated to the experimental gas phase PA of small oxygen-containing molecules. The reliability of the method is increased by combining two experimental parameters.

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Article information

DOI
https://doi.org/10.1039/B105093C
Article type
Paper
Submitted
11 Jun 2001
Accepted
14 Nov 2001
First published
17 Dec 2001

Phys. Chem. Chem. Phys., 2002,4, 146-148

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Determination of the basicity of alkali-exchanged molecular sieves

G. N. Vayssilov and N. Rösch, Phys. Chem. Chem. Phys., 2002, 4, 146 DOI: 10.1039/B105093C

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