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

abstract

• 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 -chloroesters. A coherent mechanistic picture of this transformation is revealed. These results have broad implications for understanding the mechanisms of iron-catalyzed cross-coupling reactions and rational design of novel iron-based catalysts for asymmetric transformations.

authors

• Gutierrez Santacruz, Osvaldo

published proceedings

• J Am Chem Soc

altmetric score

• 3.35

author list (cited authors)

• Lee, W., Zhou, J., & Gutierrez, O.

citation count

• 50

complete list of authors

• Lee, Wes||Zhou, Jun||Gutierrez, Osvaldo

publication date

• November 2017

publisher

• American Chemical Society (ACS)  Publisher

published in

• Journal of the American Chemical Society  Journal

PubMed Central ID

• 29017326

Digital Object Identifier (DOI)

• 10.1021/jacs.7b06377

start page

• 16126

end page

• 16133

volume

• 139

issue

• 45

URL

• http://dx.doi.org/10.1021/jacs.7b06377