Computational Characterization of the Mechanism for the Oxidative Coupling of Benzoic Acid and Alkynes by Rhodium/Copper and Rhodium/Silver Systems

Oxidative Coupling Mechanisms: Current State of Understanding

(2018) Ignacio Funes-Ardoiz et al.   ACS Catalysis

Cp*Rh(III)-Catalyzed Mild Addition of C(sp3)–H Bonds to α,β-Unsaturated Aldehydes and Ketones

(2017) Bingxian Liu et al.   ORGANIC LETTERS

Heptamethylindenyl (Ind*) enables diastereoselective benzamidation of cyclopropenes via Rh(iii)-catalyzed C–H activation

(2017) Natthawat Semakul et al.   Chemical Science

Mechanism and Origin of Et2Al(OEt)-Induced Chemoselectivity of Nickel-Catalyzed Three-Component Coupling of One Diketene and Two Alkynes

(2017) Yuxia Liu et al.   ACS Catalysis

Deciphering Selectivity in Organic Reactions: A Multifaceted Problem

(2016) David Balcells et al.   ACCOUNTS OF CHEMICAL RESEARCH

Cooperative Reductive Elimination: The Missing Piece in the Oxidative-Coupling Mechanistic Puzzle

(2016) Ignacio Funes-Ardoiz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2016) Ruhuai Mei et al.   CHEMISTRY-A EUROPEAN JOURNAL

Ruthenium(II)-Catalyzed C–H Functionalization Using the Oxazolidinone Heterocycle as a Weakly Coordinating Directing Group: Experimental and Computational Insights

(2016) Jamie A. Leitch et al.   ACS Catalysis

Ruthenium(II)-Catalyzed CH Activation/Alkyne Annulation by Weak Coordination with O2as the Sole Oxidant

(2015) Svenja Warratz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

RhIII-Catalyzed C(sp3)H Bond Activation by an External Base Metalation/Deprotonation Mechanism: A Theoretical Study

(2015) Julong Jiang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Asymmetric Dearomatization of Naphthols via a Rh-Catalyzed C(sp2)–H Functionalization/Annulation Reaction

(2015) Jun Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2015) David L. Davies et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

RhI/RhIII catalyst-controlled divergent aryl/heteroaryl C–H bond functionalization of picolinamides with alkynes

(2015) Ángel Manu Martínez et al.   Chemical Science

Cobalt-Catalyzed C–H Activation

(2015) Marc Moselage et al.   ACS Catalysis

Ruthenium-Catalyzed Cross-Dehydrogenativeortho-N-Carbazolation of Diarylamines: Versatile Access to Unsymmetrical Diamines

(2014) Marie-Laure Louillat et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Copper-Catalyzed C–H Functionalization Reactions: Efficient Synthesis of Heterocycles

(2014) Xun-Xiang Guo et al.   CHEMICAL REVIEWS

Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform

(2014) M. Álvarez-Moreno et al.   Journal of Chemical Information and Modeling

Non-innocent Additives in a Palladium(II)-Catalyzed C–H Bond Activation Reaction: Insights into Multimetallic Active Catalysts

(2014) Megha Anand et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Perspective on Ruthenium–Copper-Mediated Dehydrogenative C–N Bond Formation

(2014) Frederic Patureau et al.   SYNLETT

Computational Perspective on Pd-Catalyzed C–C Cross-Coupling Reaction Mechanisms

(2013) Max García-Melchor et al.   ACCOUNTS OF CHEMICAL RESEARCH

An Efficient Rh/O2 Catalytic System for Oxidative C–H Activation/Annulation: Evidence for Rh(I) to Rh(III) Oxidation by Molecular Oxygen

(2013) Guoying Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rhodium(iii)-catalyzed intramolecular annulations involving amide-directed C–H activations: synthetic scope and mechanistic studies

(2013) Noelia Quiñones et al.   Chemical Science

Ruthenium(II)-Catalyzed C–H Bond Activation and Functionalization

(2012) Percia Beatrice Arockiam et al.   CHEMICAL REVIEWS

C–C, C–O and C–N bond formation via rhodium(iii)-catalyzed oxidative C–H activation

(2012) Guoyong Song et al.   CHEMICAL SOCIETY REVIEWS

Investigation and Comparison of the Mechanistic Steps in the [(Cp*MCl2)2] (Cp*=C5Me5; M=Rh, Ir)-Catalyzed Oxidative Annulation of Isoquinolones with Alkynes

(2012) Nuancheng Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Rh(III)-Catalyzed Regioselective Synthesis of Pyridines from Alkenes and α,β-Unsaturated Oxime Esters

(2012) Jamie M. Neely et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Toward Polynuclear Ru–Cu Catalytic Dehydrogenative C–N Bond Formation, on the Reactivity of Carbazoles

(2012) Marie-Laure Louillat et al.   ORGANIC LETTERS

Rhodium Catalyzed Chelation-Assisted C–H Bond Functionalization Reactions

(2011) Denise A. Colby et al.   ACCOUNTS OF CHEMICAL RESEARCH

Rhodium(iii)-catalyzed oxidative carbonylation of benzamides with carbon monoxide

(2011) Ya Du et al.   CHEMICAL COMMUNICATIONS

Computational Elucidation of the Internal Oxidant-Controlled Reaction Pathways in Rh(III)-Catalyzed Aromatic C–H Functionalization

(2011) Liang Xu et al.   JOURNAL OF ORGANIC CHEMISTRY

Palladium-Catalyzed Ligand-Directed C−H Functionalization Reactions

(2010) Thomas W. Lyons et al.   CHEMICAL REVIEWS

C—H Bond Activation in Transition Metal Species from a Computational Perspective

(2010) David Balcells et al.   CHEMICAL REVIEWS

Indoles from Simple Anilines and Alkynes: Palladium-Catalyzed CH Activation Using Dioxygen as the Oxidant

(2009) Zhuangzhi Shi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

C−H Activation of Phenyl Imines and 2-Phenylpyridines with [Cp*MCl2]2(M = Ir, Rh): Regioselectivity, Kinetics, and Mechanism

(2009) Ling Li et al.   ORGANOMETALLICS

Revised Basis Sets for the LANL Effective Core Potentials

(2008) Lindsay E. Roy et al.   Journal of Chemical Theory and Computation

An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C−H Activation with [Cp*MCl2]2(M = Rh, Ir)

(2008) Ling Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Analysis of the Concerted Metalation-Deprotonation Mechanism in Palladium-Catalyzed Direct Arylation Across a Broad Range of Aromatic Substrates

(2008) Serge I. Gorelsky et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Indole Synthesis via Rhodium Catalyzed Oxidative Coupling of Acetanilides and Internal Alkynes

(2008) David R. Stuart et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rhodium-Catalyzed Direct Oxidative Carbonylation of Aromatic C−H Bond with CO and Alcohols

(2008) Zheng-Hui Guan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY