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Comments on Inorganic Chemistry
A Journal of Critical Discussion of the Current Literature
Volume 38, 2018 - Issue 6
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Mechanisms of Bisphosphine Iron-Catalyzed C(SP2)-C(SP3) Cross-Coupling Reactions: Inner-Sphere or Outer-Sphere Arylation?

Lei LiuDepartment of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, USAView further author information
,
Wes LeeDepartment of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, USAView further author information
,
Mingbin YuanDepartment of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, USAView further author information
&
Osvaldo GutierrezDepartment of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, USACorrespondence[email protected]
View further author information
Pages 210-237 | Published online: 27 Nov 2018
 
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Abstract

In this comment, we present recent insights into the mechanism of bisphosphine-iron catalyzed C(sp2)-C(sp3) cross-coupling reactions (CCRs) with the focus on the nature of the C-C bond formation event (inner-sphere versus outer-sphere) as revealed by quantum mechanical calculations from our group and others. Implications for reaction and catalyst design principles are discussed.

Graphical Abstract

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

This work was supported by the National Science Foundation [CAREER, 1751568]; University of Maryland College Park [Startup-Funds]; UMD Deepthought2 and MARCC/BlueCrab HPC clusters [5747710]; and XSEDE [CHE160082 and CHE160053].

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