Computational Kinetics of Cobalt‐Catalyzed Alkene Hydroformylation1. Issue 33 (3rd April 2014)
- Record Type:
- Journal Article
- Title:
- Computational Kinetics of Cobalt‐Catalyzed Alkene Hydroformylation1. Issue 33 (3rd April 2014)
- Main Title:
- Computational Kinetics of Cobalt‐Catalyzed Alkene Hydroformylation1
- Authors:
- Rush, Laura E.
Pringle, Paul G.
Harvey, Jeremy N. - Abstract:
- <abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>Density functional theory, coupled‐cluster theory, and transition state theory are used to build a computational model of the kinetics of phosphine‐free cobalt‐catalyzed hydroformylation and hydrogenation of alkenes. The model provides very good agreement with experiment, and enables the factors that determine the selectivity and rate of catalysis to be determined. The turnover rate is mainly determined by the alkene coordination step.</p> </abstract>
- Is Part Of:
- Angewandte Chemie international edition. Volume 53:Issue 33(2014)
- Journal:
- Angewandte Chemie international edition
- Issue:
- Volume 53:Issue 33(2014)
- Issue Display:
- Volume 53, Issue 33 (2014)
- Year:
- 2014
- Volume:
- 53
- Issue:
- 33
- Issue Sort Value:
- 2014-0053-0033-0000
- Page Start:
- 8672
- Page End:
- 8676
- Publication Date:
- 2014-04-03
- Subjects:
- Chemistry -- Periodicals
540 - Journal URLs:
- http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1521-3773 ↗
http://www.interscience.wiley.com/jpages/1433-7851 ↗
http://onlinelibrary.wiley.com/ ↗ - DOI:
- 10.1002/anie.201402115 ↗
- Languages:
- English
- ISSNs:
- 1433-7851
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - 0902.000500
British Library DSC - BLDSS-3PM
British Library STI - ELD Digital store - Ingest File:
- 2981.xml