Publications

Authors: Andrea Álvarez-Núñez, Rudraditya Sarkar, Valeria Dantignana, Jin Xiong, Yisong Guo, Josep M. Luis, Miquel Costas, Anna Company

ACS Catalysis, 2024, 14, 18, 14183-14194

DOI: 10.1021/acscatal.4c01258

Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Regioselectivite functionalization

Unraveling the Mechanism of Hydrogen Atom Transfer by a Nickel-Hypochlorite Species and the Influence of Electronic Effects

Authors: Adrià Juvanteny, Charafa Souilah, Raquel Quintero, Carlos García-Bellido, Neus Pagès-Vilà, Teresa Corona, Pedro Salvador, Anna Company

Inorganic Chemistry, 2024, 63, 31, 14325-14334

DOI: 10.1021/acs.inorgchem.4c00360

Keywords: High-valent metal complexes, Joint Exp-Comp, Ligand design, Reaction mechanisms

Reaction of (N4Py)Fe with H2O2 and the relevance of its Fe(IV)=O species during and after H2O2 disproportionation

Authors: C. Maurits de Roo, Andy S. Sardjan, Roy Postmus, Marcel Swart, Ronald Hage, Wesley R. Browne

ChemCatChem, 2024, 16, 11

DOI: 10.1002/cctc.202301594

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

Light-Induced Reactivity Switch at O2–Activating Bioinspired Copper(I) Complexes

Authors: Donglin Diao, Anna Baidiuk, Leo Chaussy, Iago De Assis Modenez, Xavi Ribas, Marius Réglier, Vlad Martin-Diaconescu, Paola Nava, A. Jalila Simaan, Alexandre Martinez, Cédric Colomban

JACS Au, 2024, 4, 5, 1966-1974

DOI: 10.1021/jacsau.4c00184

Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Supramolecular chemistry

Proximity Effects on the Reactivity of a Nonheme Iron (IV) Oxo Complex in C−H Oxidation

Authors: Alessandro Fagnano, Federico Frateloreto, Roberta Paoloni, Carla Sappino, Osvaldo Lanzalunga, Miquel Costas, Stefano Di Stefano, Giorgio Olivo

Angewandte Chemie International Edition, 2024, 63, 21

DOI: 10.1002/anie.202401694

Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Regioselectivite functionalization, Supramolecular chemistry

Catalyst and Medium Control over Rebound Pathways in Manganese-Catalyzed Methylenic C–H Bond Oxidation

Authors: Marco Galeotti, Massimo Bietti, Miquel Costas

Journal of the American Chemical Society, 2024, 146, 13, 8904-8914

DOI: 10.1021/jacs.3c11555

Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Regioselectivite functionalization

Synthesis, Structure and Reactivity of a Mononuclear N,N,O‐Bound Fe(II) α‐Keto‐Acid Complex

Authors: Emily C. Monkcom, Laura Gómez, Martin Lutz, Shengfa Ye, Eckhard Bill, Miquel Costas, Robertus J. M. Klein Gebbink

Chemistry – A European Journal, 2024, 30, 11

DOI: 10.1002/chem.202302710

Keywords: High-valent metal complexes, Ligand design, Reaction mechanisms

Geometric control of Cu, Ni and Pd complexes in the solid state via intramolecular H-bonding interactions

Authors: Ankita Puri, Allison McAninch, Sheng Shu, Khashayar Rajabimoghadam, Maxime A. Siegler, Marcel Swart, Isaac Garcia-Bosch

Inorganica Chimica Acta, 2024, 561, 121844

DOI: 10.1016/j.ica.2023.121844

Keywords: Computational chemistry, High-valent metal complexes, Non-covalent interactions

Role of non-redox innocent ligand units in the oxidation of alcohols with H2O2 catalyzed by μ-oxido-diiron(III) bis-phenolato polypyridyl complexes

Authors: Duenpen Unjaroen, Daniël R. Duijnstee, Marika Di Berto Mancini, Juan Chen, Ronald Hage, Marcel Swart, Wesley R. Browne

Journal of Inorganic Biochemistry, 2024, 260, 112698

DOI: 10.1016/j.jinorgbio.2024.112698

Keywords: High-valent metal complexes, Homogeneous catalysis, Joint Exp-Comp, Reaction mechanisms, Spectroscopy

Proton-triggered chemoselective halogenation of aliphatic C–H bonds with nonheme FeIV-oxo complexes

Authors: Neus Pagès-Vilà, Ilaria Gamba, Martin Clémancey, Jean-Marc Latour, Anna Company, Miquel Costas

Journal of Inorganic Biochemistry, 2024, 259, 112643

DOI: 10.1016/j.jinorgbio.2024.112643

Keywords: High-valent metal complexes, Oxidation, Reaction mechanisms, Spectroscopy

Dearomative syn-Dihydroxylation of Naphthalenes with a Biomimetic Iron Catalyst

Authors: Najoua Choukairi Afailal, Margarida Borrell, Marco Cianfanelli, Miquel Costas

Journal of the American Chemical Society, 2024, 146, 1, 240-249

DOI: 10.1021/jacs.3c08565

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

2023

Highly Enantioselective Catalytic Lactonization at Nonactivated Primary and Secondary γ-C–H Bonds

Authors: Arnau Call, Giorgio Capocasa, Andrea Palone, Laia Vicens, Eric Aparicio, Najoua Choukairi Afailal, Nikos Siakavaras, Maria Eugènia López Saló, Massimo Bietti, Miquel Costas

Journal of the American Chemical Society, 2023, 145, 32, 18094-18103

DOI: 10.1021/jacs.3c06231

Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Regioselectivite functionalization, Sustainable catalysis

Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?

Authors: Maria Drosou, Gerard Comas-Vilà, Frank Neese, Pedro Salvador, Dimitrios A. Pantazis

Journal of the American Chemical Society, 2023, 145, 19, 10604-10621

DOI: 10.1021/jacs.3c00489

Keywords: Chemical bonding, High-valent metal complexes, Real-space analysis, Spectroscopy

Novel NHC-Based Au(I) Complexes as Precursors of Highly Pure Au(0) Nuggets under Oxidative Conditions

Authors: Pau Font, Nikolaos V. Tzouras, Argyro T. Papastavrou, Georgios C. Vougioukalakis, Xavi Ribas

Molecules, 2023, 28, 5, 2302

DOI: 10.3390/molecules28052302

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

Redox Activity of IrIII Complexes with Multidentate Ligands Based on Dipyrido‐Annulated N‐Heterocyclic Carbenes: Access to High Valent and High Spin State with Carbon Donors

Authors: Kazuki Nakanishi, Leonardo I. Lugo‐Fuentes, Jun Manabe, Ronghao Guo, Soichi Kikkawa, Seiji Yamazoe, Kenji Komaguchi, Shoko Kume, Dariusz W. Szczepanik, Miquel Solà, J. Oscar C. Jimenez‐Halla, Sadafumi Nishihara, Kazuyuki Kubo, Masaaki Nakamoto, Yohsuke Yamamoto, Tsutomu Mizuta, Rong Shang

Chemistry – A European Journal, 2023, 29, 63

DOI: 10.1002/chem.202302303

Keywords: High-valent metal complexes, Organometallics, Oxidation, Spin states

Electronic properties and redox chemistry ofN-confused metalloporphyrins

Authors: Frederico F. Martins, Marcel Swart

Journal of Porphyrins and Phthalocyanines, 2023, 27, 07n10, 1320-1329

DOI: 10.1142/s1088424623500918

Keywords: Excited states, High-valent metal complexes, Spectroscopy, Spin states

Characterization of a Ferryl Flip in Electronically Tuned Nonheme Complexes. Consequences in Hydrogen Atom Transfer Reactivity

Authors: Valeria Dantignana, M. Carmen Pérez‐Segura, Pau Besalú‐Sala, Estefanía Delgado‐Pinar, Álvaro Martínez‐Camarena, Joan Serrano‐Plana, Andrea Álvarez‐Núñez, Carmen E. Castillo, Enrique García‐España, Josep M. Luis, Manuel G. Basallote, Miquel Costas, Anna Company

Angewandte Chemie International Edition, 2023, 62, 2

DOI: 10.1002/anie.202211361

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

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