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2022

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

Unravelling Enzymatic Features in a Supramolecular Iridium Catalyst by Computational Calculations

Authors: Michele Tomasini, Lucia Caporaso, Jonathan Trouvé, Jordi Poater, Rafael Gramage‐Doria, Albert Poater

Chemistry – A European Journal, 2022, 28, 57

DOI: 10.1002/chem.202201970

Keywords: Catalysis, Organometallics, Sustainable catalysis

A Rh(I)‐Catalyzed Cascade Cyclization of 1,5‐Bisallenes and Alkynes for the Formation of cis‐3,4‐Arylvinyl Pyrrolidines and Cyclopentanes

Authors: Jordi Vila, Roger Vinardell, Miquel Solà, Anna Pla‐Quintana, Anna Roglans

Advanced Synthesis & Catalysis, 2022, 364, 1, 206-217

DOI: 10.1002/adsc.202100934

Keywords: Catalysis, Cycloaddition, Density Functional Theory, Reaction mechanisms, Sustainable catalysis

Effect of Diamine Bridge on Reactivity of Tetradentate ONNO Nickel(II) Complexes

Authors: Kamila Pruszkowska, Olga A. Stasyuk, Anna Zep, Adam Krówczyński, Rafal R. Sicinski, Miquel Solà, Michał K. Cyrański

ChemPhysChem, 2022, 23, 2

DOI: 10.1002/cphc.202100741

Keywords: Catalysis, Chemical bonding, Excited states, Organometallics, Reaction mechanisms

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

Unveiling the complexity of the dual gold(I) catalyzed intermolecular hydroamination of alkynes leading to vinylazoles

Authors: Md Bin Yeamin, Josep Duran, Sílvia Simon, Nikolaos V. Tzouras, Steven P. Nolan, Albert Poater

Molecular Catalysis, 2022, 518, 112090

DOI: 10.1016/j.mcat.2021.112090

Keywords: Catalysis, Chemical bonding, Computational chemistry, Cycloaddition, Reaction mechanisms

Visible-light-driven reduction of CO2 to CO in fully aqueous media using a water-soluble cobalt porphyrin

Authors: Arnau Call, Mihaela Cibian, Kosei Yamauchi, Ken Sakai

Sustainable Energy & Fuels, 2022, 6, 9, 2160-2164

DOI: 10.1039/d2se00291d

Keywords: Catalysis, Photocatalysis, Photochemistry, Reaction mechanisms, Spectroscopy

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

Supramolecular nanocapsules as two-fold stabilizers of outer-cavity sub-nanometric Ru NPs and inner-cavity ultra-small Ru clusters

Authors: Ernest Ubasart, Irene Mustieles Marin, Juan Manuel Asensio, Gabriel Mencia, Ángela M. López-Vinasco, Cristina García-Simón, Iker del Rosal, Romuald Poteau, Bruno Chaudret, Xavi Ribas

Nanoscale Horizons, 2022, 7, 6, 607-615

DOI: 10.1039/d1nh00677k

Keywords: Catalysis, Confined space, Nanocages, Supramolecular chemistry

Photoredox catalysis leading to triazolo-quinoxalinones at room temperature: selectivity of the rate determining step

Authors: Roger Monreal-Corona, Emili Besalú, Anna Pla-Quintana, Albert Poater

Organic & Biomolecular Chemistry, 2022, 20, 47, 9330-9336

DOI: 10.1039/d2ob01587k

Keywords: Catalysis, Computational chemistry, Photochemistry, Predictive Chemistry, Reaction mechanisms

2021

Mechanistic Aspects of the Palladium‐Catalyzed Suzuki‐Miyaura Cross‐Coupling Reaction

Authors: Massimo C. D'Alterio, Èric Casals‐Cruañas, Nikolaos V. Tzouras, Giovanni Talarico, Steven P. Nolan, Albert Poater

Chemistry – A European Journal, 2021, 27, 54, 13481-13493

DOI: 10.1002/chem.202101880

Keywords: Catalysis, Computational chemistry, Cross-coupling reactions, Organometallics, Reaction mechanisms

The Unexplored Importance of Fleeting Chiral Intermediates in Enzyme-Catalyzed Reactions

Authors: Manfred T. Reetz, Marc Garcia-Borràs

Journal of the American Chemical Society, 2021, 143, 37, 14939-14950

DOI: 10.1021/jacs.1c04551

Keywords: Catalysis, Enzyme design, Metalloproteins, Reaction mechanisms

Exploring the potential of group III salen complexes for the conversion of CO2 under ambient conditions

Authors: Vatcharaporn Aomchad, Silvano Del Gobbo, Prapussorn Yingcharoen, Albert Poater, Valerio D’Elia

Catalysis Today, 2021, 375, 324-334

DOI: 10.1016/j.cattod.2020.01.021

Keywords: Catalysis, Computational chemistry, Reaction mechanisms, Sustainable catalysis

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

Ruthenium‐Catalyzed Three‐Component Alkylation: A Tandem Approach to the Synthesis of Nonsymmetric N,N‐Dialkyl Acyl Hydrazides with Alcohols

Authors: Léo Bettoni, Nicolas Joly, Jean‐François Lohier, Sylvain Gaillard, Albert Poater, Jean‐Luc Renaud

Advanced Synthesis & Catalysis, 2021, 363, 16, 4009-4017

DOI: 10.1002/adsc.202100554

Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

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

Biocatalysis

Authors: Elizabeth L. Bell, William Finnigan, Scott P. France, Anthony P. Green, Martin A. Hayes, Lorna J. Hepworth, Sarah L. Lovelock, Haruka Niikura, Sílvia Osuna, Elvira Romero, Katherine S. Ryan, Nicholas J. Turner, Sabine L. Flitsch

Nature Reviews Methods Primers, 2021, 1, 1

DOI: 10.1038/s43586-021-00044-z

Keywords: Biocatalysis, Catalysis, Enzyme design

Towards Dual-Metal Catalyzed Hydroalkoxylation of Alkynes

Authors: Oscar González-Belman, Artur Brotons-Rufes, Michele Tomasini, Laura Falivene, Lucia Caporaso, Jose Jiménez-Halla, Albert Poater

Catalysts, 2021, 11, 6, 704

DOI: 10.3390/catal11060704

Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms

Accessing Chemo- and Regioselective Benzylic and Aromatic Oxidations by Protein Engineering of an Unspecific Peroxygenase

Authors: Anja Knorrscheidt, Jordi Soler, Nicole Hünecke, Pascal Püllmann, Marc Garcia-Borràs, Martin J. Weissenborn

ACS Catalysis, 2021, 11, 12, 7327-7338

DOI: 10.1021/acscatal.1c00847

Keywords: Catalysis, Computational chemistry, Enzyme design, Metalloproteins, Oxidation

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