Selective oxidation passing through η3-ozone intermediates: applications to direct propene epoxidation using molecular oxygen oxidant
Author:
Affiliation:
1. Chemical Engineering Department
2. New Mexico State University
3. Las Cruces, USA
Abstract
An unprecedented catalytic route for selective oxidation is designed that passes through η3-ozone intermediates and uses molecular oxygen as the oxidant without requiring a coreductant. DFT-computed reaction cycles identify a new catalyst type with the lowest computed overall activation energy for direct propene epoxidation for any catalyst to date.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2014/RA/C4RA03729D
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