fulltext.study @t Gmail

Formation of Mo-carbene active sites in Mo/Beta zeolite catalysts with different olefins: Theoretical exploration of possible reaction pathways and substituent effects

Paper ID Volume ID Publish Year Pages File Format Full-Text
51877 46857 2008 4 PDF Available
Title
Formation of Mo-carbene active sites in Mo/Beta zeolite catalysts with different olefins: Theoretical exploration of possible reaction pathways and substituent effects
Abstract

Metal-carbenes act as the active sites in varieties of important reactions, and in this work, the possible pathways of Mo-carbene formation in Mo/Beta zeolite were explored by density functional calculations. Four chiral oxametallacyclobutane intermediates of different energies were determined for either propylene or 2-butylene, corresponding to the four independent reaction pathways. The main products were Mo-methylidene for propylene and syn-Mo-ethylidene for 2-butylene, respectively. On the basis of energy profiles, the activities of producing the Mo-carbene species were found to decrease in the order of propylene > 2-butylene > ethylene, which were the compromising results of electrophilic and steric effects.

Keywords
Density functional calculations; Mo-carbene; Olefin metathesis; Substituent effects; Zeolite
First Page Preview
Formation of Mo-carbene active sites in Mo/Beta zeolite catalysts with different olefins: Theoretical exploration of possible reaction pathways and substituent effects
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
Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Communications - Volume 9, Issue 13, 20 July 2008, Pages 2213–2216
Authors
, , , , , , ,
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