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Peroxo and superoxo anions: A DFT study on Fe/ZSM-5 zeolite

Paper ID Volume ID Publish Year Pages File Format Full-Text
52468 46875 1984 4 PDF Available
Title
Peroxo and superoxo anions: A DFT study on Fe/ZSM-5 zeolite
Abstract

Metal peroxide species are the active sites in lots of solid-state and enzyme catalytic systems. With density functional calculations, the configurations of peroxide and superoxide anions in Fe/ZSM-5 zeolite were first resolved. The presence of superoxide anion was validated, which is less stabilized than the peroxide anion, especially at higher temperatures. It acts as the precursor to the active peroxide anion. Raman frequencies of these two species were analyzed considering 18O/16O isotope effects. The present results are in fine agreement with previous theoretical and experimental results.

Keywords
Active site; Density functional; Peroxide; Superoxide; Fe/ZSM-5 zeolite
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Peroxo and superoxo anions: A DFT study on Fe/ZSM-5 zeolite
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Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Communications - Volume 8, Issue 12, December 2007, Pages 1981–1984
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us