Local structure of highly dispersed lead species incorporated within zeolite: experimental and theoretical studies

Local structure of highly dispersed lead species incorporated within zeolite: experimental and... XAFS (both XANES and FT-EXAFS) measurements revealed that the Pb2+ /ZSM-5 catalyst prepared from precursor H-ZSM-5 by a conventional ion-exchange method includes a highly dispersed 3-fold coordinated Pb2+ ion species within the zeolite framework. UV-irradiation of Pb2+ /ZSM-5 led to effective decomposition of NO and N2O producing N2. The photocatalytic decomposition of NO is found to be slightly preferable than that of N2O. The isolated Pb2+ ions play a significant role in the decomposition of pollutant NO x . Ab initio and DFT quantum chemical studies at the HF/Lanl2dz and B3PW91/Lanl2dz levels further shed light on local structures of the Pb2+ active site of lead-containing zeolites, as well as on their interactions with pollutant NO and N2O molecules. In agreement with experiments, 3-fold coordination was found to be the most favorable state for the Pb2+ site within the zeolite framework. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

Local structure of highly dispersed lead species incorporated within zeolite: experimental and theoretical studies

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Publisher
Springer Journals
Copyright
Copyright © 2003 by VSP 2003
Subject
Chemistry; Inorganic Chemistry; Physical Chemistry
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1163/156856703765694345
Publisher site
See Article on Publisher Site

Abstract

XAFS (both XANES and FT-EXAFS) measurements revealed that the Pb2+ /ZSM-5 catalyst prepared from precursor H-ZSM-5 by a conventional ion-exchange method includes a highly dispersed 3-fold coordinated Pb2+ ion species within the zeolite framework. UV-irradiation of Pb2+ /ZSM-5 led to effective decomposition of NO and N2O producing N2. The photocatalytic decomposition of NO is found to be slightly preferable than that of N2O. The isolated Pb2+ ions play a significant role in the decomposition of pollutant NO x . Ab initio and DFT quantum chemical studies at the HF/Lanl2dz and B3PW91/Lanl2dz levels further shed light on local structures of the Pb2+ active site of lead-containing zeolites, as well as on their interactions with pollutant NO and N2O molecules. In agreement with experiments, 3-fold coordination was found to be the most favorable state for the Pb2+ site within the zeolite framework.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Oct 17, 2004

References

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