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2023

An investigation of steric influence on the reactivity of FeV(O)(OH) tautomers in stereospecific C–H hydroxylation

Authors: Mainak Mitra, Alexander Brinkmeier, Yong Li, Margarida Borrell, Arnau Call, Julio Lloret Fillol, Michael G. Richmond, Miquel Costas, Ebbe Nordlander

Dalton Transactions, 2023, 52, 12, 3596-3609

DOI: 10.1039/d2dt00725h

Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable catalysis

2022

Synthesis of FeIII and FeIV Cyanide Complexes Using Hypervalent Iodine Reagents as Cyano‐Transfer One‐Electron Oxidants

Authors: Charafa Souilah, Sergio A. V. Jannuzzi, Derya Demirbas, Sergei Ivlev, Marcel Swart, Serena DeBeer, Alicia Casitas

Angewandte Chemie International Edition, 2022, 61, 22

DOI: 10.1002/anie.202201699

Keywords: Catalysis, Computational chemistry, High-valent metal complexes, Homogeneous catalysis, Organometallics

Resolving Oxygenation Pathways in Manganese-Catalyzed C(sp3)–H Functionalization via Radical and Cationic Intermediates

Authors: Marco Galeotti, Laia Vicens, Michela Salamone, Miquel Costas, Massimo Bietti

Journal of the American Chemical Society, 2022, 144, 16, 7391-7401

DOI: 10.1021/jacs.2c01466

Keywords: High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable catalysis

Carboxylic Acid Directed γ-Lactonization of Unactivated Primary C–H Bonds Catalyzed by Mn Complexes: Application to Stereoselective Natural Product Diversification

Authors: Arnau Call, Marco Cianfanelli, Pau Besalú-Sala, Giorgio Olivo, Andrea Palone, Laia Vicens, Xavi Ribas, Josep M. Luis, Massimo Bietti, Miquel Costas

Journal of the American Chemical Society, 2022, 144, 42, 19542-19558

DOI: 10.1021/jacs.2c08620

Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable catalysis

Oxidative C−F Cleavage in Metalloenzymes and Model Compounds

Authors: Miquel Costas, Anna Company

European Journal of Inorganic Chemistry, 2022, 2022, 1

DOI: 10.1002/ejic.202100754

Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable catalysis

Ni(i)–TPA stabilization by hydrogen bond formation on the second coordination sphere: a DFT characterization

Authors: Sergio Posada-Pérez, Silvia Escayola, Jordi Poater, Miquel Solà, Albert Poater

Dalton Transactions, 2022, 51, 33, 12585-12595

DOI: 10.1039/d2dt01355j

Keywords: Chemical bonding, Computational chemistry, Density Functional Theory, High-valent metal complexes, Organometallics

Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids

Authors: Pau Font, Hugo Valdés, Gregorio Guisado-Barrios, Xavi Ribas

Chemical Science, 2022, 13, 32, 9351-9360

DOI: 10.1039/d2sc01966c

Keywords: Catalysis, Cross-coupling reactions, High-valent metal complexes, Organometallics

Organometallic Ni(ii), Ni(iii), and Ni(iv) complexes relevant to carbon–carbon and carbon–oxygen bond formation reactions

Authors: C. Magallón, L. Griego, C. H. Hu, A. Company, X. Ribas, L. M. Mirica

Inorganic Chemistry Frontiers, 2022, 9, 5, 1016-1022

DOI: 10.1039/d1qi01486b

Keywords: High-valent metal complexes, Organometallics

2021

Aromatic C−H Hydroxylation Reactions with Hydrogen Peroxide Catalyzed by Bulky Manganese Complexes

Authors: Eduard Masferrer‐Rius, Margarida Borrell, Martin Lutz, Miquel Costas, Robertus J. M. Klein Gebbink

Advanced Synthesis & Catalysis, 2021, 363, 15, 3783-3795

DOI: 10.1002/adsc.202001590

Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable catalysis

Stable, but still reactive – investigations on the effects of Lewis acid binding on copper nitrene intermediates

Authors: Katrin Warm, Inés Monte Pérez, Uwe Kuhlmann, Peter Hildebrandt, Erik Farquhar, Marcel Swart, Kallol Ray

Zeitschrift für anorganische und allgemeine Chemie, 2021, 647, 14, 1495-1502

DOI: 10.1002/zaac.202100092

Keywords: Catalysis, Computational chemistry, High-valent metal complexes, Spectroscopy

Fundamental Basis for Implementing Oxidant‐Free Au(I)/Au(III) Catalysis

Authors: Pau Font, Xavi Ribas

European Journal of Inorganic Chemistry, 2021, 2021, 26, 2556-2569

DOI: 10.1002/ejic.202100301

Keywords: Catalysis, Cross-coupling reactions, High-valent metal complexes, Organometallics

Fluxional bis(phenoxy-imine) Zr and Ti catalysts for polymerization

Authors: Sílvia Escayola, Artur Brotons-Rufes, Naeimeh Bahri-Laleh, Francesco Ragone, Luigi Cavallo, Miquel Solà, Albert Poater

Theoretical Chemistry Accounts, 2021, 140, 5

DOI: 10.1007/s00214-021-02747-8

Keywords: Aromaticity, High-valent metal complexes, Organometallics, Reaction mechanisms

Electrocatalytic Water Oxidation with α-[Fe(mcp)(OTf)2] and Analogues

Authors: Silvia D’Agostini, Konstantin G. Kottrup, Carla Casadevall, Ilaria Gamba, Valeria Dantignana, Alberto Bucci, Miquel Costas, Julio Lloret-Fillol, Dennis G.H. Hetterscheid

ACS Catalysis, 2021, 11, 5, 2583-2595

DOI: 10.1021/acscatal.0c05439

Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable catalysis

A Pseudotetrahedral Terminal Oxoiron(IV) Complex: Mechanistic Promiscuity in C−H Bond Oxidation Reactions

Authors: Katrin Warm, Alice Paskin, Uwe Kuhlmann, Eckhard Bill, Marcel Swart, Michael Haumann, Holger Dau, Peter Hildebrandt, Kallol Ray

Angewandte Chemie International Edition, 2021, 60, 12, 6752-6756

DOI: 10.1002/anie.202015896

Keywords: Catalysis, Computational chemistry, High-valent metal complexes, Homogeneous catalysis, Spectroscopy

General Access to Modified α‐Amino Acids by Bioinspired Stereoselective γ‐C−H Bond Lactonization

Authors: Laia Vicens, Massimo Bietti, Miquel Costas

Angewandte Chemie International Edition, 2021, 60, 9, 4740-4746

DOI: 10.1002/anie.202007899

Keywords: Catalysis, High-valent metal complexes, Oxidation, Sustainable catalysis

Site and Enantioselective Aliphatic C−H Oxidation with Bioinspired Chiral Complexes

Authors: Miquel Costas

The Chemical Record, 2021, 21, 12, 4000-4014

DOI: 10.1002/tcr.202100227

Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable catalysis

Modulation of a μ-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions

Authors: Alexander Brinkmeier, Kristian E. Dalle, Lorenzo D’Amore, Roland A. Schulz, Sebastian Dechert, Serhiy Demeshko, Marcel Swart, Franc Meyer

Journal of the American Chemical Society, 2021, 143, 42, 17751-17760

DOI: 10.1021/jacs.1c08645

Keywords: Density Functional Theory, Excited states, High-valent metal complexes, Homogeneous catalysis, Oxidation