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Computational Studies of Carboxylate-Assisted C–H Activation and Functionalization at Group 8–10 Transition Metal Centers

Chemical reviews, 2017-07, Vol.117 (13), p.8649-8709

2017

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Cobalt-Catalyzed Oxidase C−H/N−H Alkyne Annulation: Mechanistic Insights and Access to Anticancer Agents

Chemistry : a European journal, 2016-05, Vol.22 (20), p.6759-6763

2016

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The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C–H Activation

Journal of the American Chemical Society, 2019-06, Vol.141 (22), p.8896-8906

2019

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Experimental and DFT Studies Explain Solvent Control of C–H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles

Journal of the American Chemical Society, 2015-08, Vol.137 (30), p.9659-9669

2015

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Highly Reactive Rhodium(I)-Boryl Complex as a Useful Tool for C----H Bond Activation and Catalytic C----F Bond Borylation

Angewandte Chemie (International ed.), 2010-05, Vol.49 (23), p.3947-3951

2010

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C−F and C−H Bond Activation of Fluorobenzenes and Fluoropyridines at Transition Metal Centers: How Fluorine Tips the Scales

Accounts of chemical research, 2011-05, Vol.44 (5), p.333-348

2011

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Transition metal-mediated P-C/X exchange at bound phosphine ligands (X=aryl, alkyl, NR2, OR and F): scope and mechanisms

Chemical Society reviews, 2007-01, Vol.36 (1), p.67-76

Macgregor, Stuart A

2007

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Bridges and Vertices in Heteroboranes

Molecules (Basel, Switzerland), 2022-12, Vol.28 (1), p.190

2022

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Mechanisms of C-H bond activation: rich synergy between computation and experiment

Dalton transactions : an international journal of inorganic chemistry, 2009-01 (30), p.5820-5831

2009

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Benzoate Cyclometalation Enables Oxidative Addition of Haloarenes at a Ru(II) Center

Journal of the American Chemical Society, 2018-09, Vol.140 (37), p.11836-11847

2018

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Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N‑Heterocyclic Carbenes

Journal of the American Chemical Society, 2013-09, Vol.135 (37), p.13640-13643

2013

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Zn-Promoted C–H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru–Zn Intermediate

Journal of the American Chemical Society, 2020-04, Vol.142 (13), p.6340-6349

2020

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The Simplest Amino-borane H2B=NH2 Trapped on a Rhodium Dimer: Pre-Catalysts for Amine-Borane Dehydropolymerization

Angewandte Chemie International Edition, 2016-06, Vol.55 (23), p.6651-6656

International ed. in English, 2016

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Nucleophilic Fluorination Catalyzed by a Cyclometallated Rhodium Complex

Organometallics, 2022-04, Vol.41 (7), p.883-891

2022

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Experimental and Computational Studies on the Acetate-Assisted C–H Activation of N‑Aryl Imidazolium Salts at Rhodium and Iridium: A Chloride Additive Changes the Selectivity of C–H Activation

Journal of organic chemistry, 2022-01, Vol.87 (2), p.1445-1456

2022

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Computational Study of the Mechanism of Cyclometalation by Palladium Acetate

Journal of the American Chemical Society, 2005-10, Vol.127 (40), p.13754-13755

2005

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Palladium-Catalyzed Direct CH Functionalization of Benzoquinone

Angewandte Chemie International Edition, 2014-12, Vol.53 (50), p.13876-13879

2014

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A Rhodium-Pentane Sigma-Alkane Complex: Characterization in the Solid State by Experimental and Computational Techniques

Angewandte Chemie International Edition, 2016-03, Vol.55 (11), p.3677-3681

International ed. in English, 2016

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Catalytic Hydrodefluorination of Pentafluorobenzene by [Ru(NHC)(PPh₃)₂(CO)H₂]: A Nucleophilic Attack by a Metal-Bound Hydride Ligand Explains an Unusual ortho-Regioselectivity

Angewandte Chemie (International ed.), 2011-03, Vol.50 (12), p.2783-2786

International ed. in English, 2011

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Impact of the Novel Z‑Acceptor Ligand Bis{(ortho-diphenylphosphino)phenyl}zinc (ZnPhos) on the Formation and Reactivity of Low-Coordinate Ru(0) Centers

Inorganic chemistry, 2020-11, Vol.59 (21), p.15606-15619

2020

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The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process

Organometallics, 2014-02, Vol.33 (3), p.736-752

2014

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[Ir(PCy3)2(H)2(H2BNMe2)]+ as a Latent Source of Aminoborane: Probing the Role of Metal in the Dehydrocoupling of H3B⋅NMe2H and Retrodimerisation of [H2BNMe2]2

Chemistry : a European journal, 2011-03, Vol.17 (10), p.3011-3020

2011

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Dehydrocoupling of phosphine-boranes using the [RhCpMe(PMe 3 )(CH 2 Cl 2 )][BAr F 4 ] precatalyst: stoichiometric and catalytic studies

Chemical science (Cambridge), 2016-03, Vol.7 (3), p.2414-2426

2016

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Rhodium(I) Silyl Complexes for C–F Bond Activation Reactions of Aromatic Compounds: Experimental and Computational Studies

Organometallics, 2013-07, Vol.32 (14), p.3795-3807

2013

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Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes

Journal of the American Chemical Society, 2016-07, Vol.138 (26), p.8212-8220

2016

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Computational Studies of Carboxylate-Assisted C–H Activation and Functionalization at Group 8–10 Transition Metal Centers

Cobalt-Catalyzed Oxidase C−H/N−H Alkyne Annulation: Mechanistic Insights and Access to Anticancer Agents

The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C–H Activation

Experimental and DFT Studies Explain Solvent Control of C–H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles

Highly Reactive Rhodium(I)-Boryl Complex as a Useful Tool for C----H Bond Activation and Catalytic C----F Bond Borylation

C−F and C−H Bond Activation of Fluorobenzenes and Fluoropyridines at Transition Metal Centers: How Fluorine Tips the Scales

Transition metal-mediated P-C/X exchange at bound phosphine ligands (X=aryl, alkyl, NR2, OR and F): scope and mechanisms

Bridges and Vertices in Heteroboranes

Mechanisms of C-H bond activation: rich synergy between computation and experiment

Benzoate Cyclometalation Enables Oxidative Addition of Haloarenes at a Ru(II) Center

Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N‑Heterocyclic Carbenes

Zn-Promoted C–H Reductive Elimination and H2 Activation via a Dual Unsaturated Heterobimetallic Ru–Zn Intermediate

The Simplest Amino-borane H2B=NH2 Trapped on a Rhodium Dimer: Pre-Catalysts for Amine-Borane Dehydropolymerization

Nucleophilic Fluorination Catalyzed by a Cyclometallated Rhodium Complex

Experimental and Computational Studies on the Acetate-Assisted C–H Activation of N‑Aryl Imidazolium Salts at Rhodium and Iridium: A Chloride Additive Changes the Selectivity of C–H Activation

Computational Study of the Mechanism of Cyclometalation by Palladium Acetate

Palladium-Catalyzed Direct CH Functionalization of Benzoquinone

A Rhodium-Pentane Sigma-Alkane Complex: Characterization in the Solid State by Experimental and Computational Techniques

Catalytic Hydrodefluorination of Pentafluorobenzene by [Ru(NHC)(PPh₃)₂(CO)H₂]: A Nucleophilic Attack by a Metal-Bound Hydride Ligand Explains an Unusual ortho-Regioselectivity

Impact of the Novel Z‑Acceptor Ligand Bis{(ortho-diphenylphosphino)phenyl}zinc (ZnPhos) on the Formation and Reactivity of Low-Coordinate Ru(0) Centers

The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process

[Ir(PCy3)2(H)2(H2BNMe2)]+ as a Latent Source of Aminoborane: Probing the Role of Metal in the Dehydrocoupling of H3B⋅NMe2H and Retrodimerisation of [H2BNMe2]2

Dehydrocoupling of phosphine-boranes using the [RhCpMe(PMe 3 )(CH 2 Cl 2 )][BAr F 4 ] precatalyst: stoichiometric and catalytic studies

Rhodium(I) Silyl Complexes for C–F Bond Activation Reactions of Aromatic Compounds: Experimental and Computational Studies

Synthesis of Functionalized 1,4-Azaborinines by the Cyclization of Di-tert-butyliminoborane and Alkynes

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