Mechanism of Nakamura's Bisphosphine-Iron-Catalyzed Asymmetric C(sp²)-C(sp³) Cross-Coupling Reaction: The Role of Spin in Controlling Arylation Pathways.

Quantum mechanical calculations are employed to investigate the mechanism and origin of stereoinduction in asymmetric iron-catalyzed C(sp²)-C(sp³) cross-coupling reaction between Grignard reagents and α-chloroesters. A coherent mechanistic picture of this transformation is revealed. These results ha...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 139; no. 45; pp. 16126 - 16134
Main Authors:	Wes Lee, Jun Zhou, Osvaldo Gutierrez
Format:	Article
Published:	American Chemical Society 11/15/2017
Subjects:	Enantioselective catalysis Iron catalysts Quantum mechanics Density functional theory Grignard reagents
Online Access:	View this record in EBSCOhost