Regioselectivity of Nucleophilic Attack on [Pd(allyl)(phosphine)(imine)] Complexes:  A Theoretical Study

Ward, Thomas R.. (1996) Regioselectivity of Nucleophilic Attack on [Pd(allyl)(phosphine)(imine)] Complexes:  A Theoretical Study. Organometallics, 15 (12). pp. 2836-2838.

Full text not available from this repository.

Official URL: http://edoc.unibas.ch/dok/A5254492

Downloads: Statistics Overview


Extended Hückel calculations help rationalize the observed regioselectivity of allylic alkylations catalyzed by Pd complexes containing either C2-symmetric or electronically asymmetric bidentate chiral ligands. Mixing of the empty high-lying π* into the LUMO, made up mostly of the antibonding combination between the dx2-y2 and the allyl nonbonding fragment orbitals, increases the electrophilicity of the carbon with the longest Pd−C bond as its weight in the LUMO increases.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Bioanorganische Chemie (Ward)
UniBasel Contributors:Ward, Thomas R. R.
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:American Chemical Society
Note:Publication type according to Uni Basel Research Database: Journal article
Identification Number:
Last Modified:26 Apr 2017 14:24
Deposited On:22 Mar 2012 14:07

Repository Staff Only: item control page