liu.seSearch for publications in DiVA
Change search
ReferencesLink to record
Permanent link

Direct link
Enantioselectivity in the Iridium-Catalyzed Hydrogenation of Unfunctionalized Olefins
Uppsala University.
Linköping University. (National Supercomputer Centre)
Uppsala University.
2010 (English)In: ORGANOMETALLICS, ISSN 0276-7333, Vol. 29, no 24, 6769-6781 p.Article in journal (Refereed) Published
Abstract [en]

The iridium catalyzed asymmetric hydrogenation of largely unfunctionalized olefins has been studied by DFT calculations using a full experimentally tested combination of ligand and substrate All possible diastereomeric pathways were considered within four different hydrogenation mechanisms The effect of a solvent continuum was also considered and both the gas phase and solvent continuum calculations favored the same mechanism This mechanism passed through Ir-III and Ir-V intermediates and was consistent with the sense of stereoselection observed experimentally Comparing the calculations to those performed on a model system permitted an evaluation of the model system s utility in representing the full one A simple general method for predicting the sense of stereoselection in iridium-catalyzed olefin hydrogenation was developed and tested against published data

Place, publisher, year, edition, pages
ACS American Chemical Society , 2010. Vol. 29, no 24, 6769-6781 p.
National Category
Medical and Health Sciences
URN: urn:nbn:se:liu:diva-65934DOI: 10.1021/om100899uISI: 000285373100021OAI: diva2:400799
Available from: 2011-02-28 Created: 2011-02-28 Last updated: 2011-02-28

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Rasmussen, Torben
By organisation
Linköping University
Medical and Health Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 43 hits
ReferencesLink to record
Permanent link

Direct link