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Use of pyridine CH(D) vibrations for the study of Lewis acidity of metal oxides

Paper ID Volume ID Publish Year Pages File Format Full-Text
44681 46052 2006 10 PDF Available
Title
Use of pyridine CH(D) vibrations for the study of Lewis acidity of metal oxides
Abstract

C–H and C–D stretching vibrations of h5- and d5-pyridine adsorbed on various metal oxides have been investigated by infrared spectroscopy. Experimental spectra were further compared with density functional (DFT) calculations of the interaction of pyridine with cluster models. Both νCH(D) frequencies and intensities are sensitive to the adsorption mode and allow one to distinguish between H-bonded, protonated and coordinated species. In the case of coordinated species, an increase in ν(CH) frequencies is observed and it could be correlated with the ν8a and ν19b frequency shifts which are commonly used to assess acid strength of metal oxides. It is found that the study of ν(CH) modes is more reliable than that of the ν8a and ν19b modes to distinguish H-bonded from weakly coordinated species. An example of such an application is given for the cases of CeO2, MgO and CaO.

Keywords
Pyridine; Metal oxides; Lewis acidity; Infrared; DFT
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Use of pyridine CH(D) vibrations for the study of Lewis acidity of metal oxides
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Publisher
Database: Elsevier - ScienceDirect
Journal: Applied Catalysis A: General - Volume 307, Issue 1, 12 June 2006, Pages 98–107
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
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