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2023

Precise control of the site selectivity in ruthenium-catalyzed C–H bond amidations using cyclic amides as powerful directing groups

Authors: Yu-Chao Yuan, Qiu-Li Lu, Xiao-Tong Zhu, Sergio Posada-Pérez, Miquel Solà, Albert Poater, Thierry Roisnel, Rafael Gramage-Doria

Organic Chemistry Frontiers, 2023, 10, 1, 42-53

DOI: 10.1039/d2qo01434c

Keywords: Catalysis, Organometallics, Predictive Chemistry, Sustainable catalysis

Cycloaddition of CO2 to epoxides “around water”: a strategy to apply and recycle efficient water-soluble bio-based organocatalysts in biphasic media

Authors: Tharinee Theerathanagorn, Anna Vidal-López, Aleix Comas-Vives, Albert Poater, Valerio D′ Elia

Green Chemistry, 2023, 25, 11, 4336-4349

DOI: 10.1039/d2gc04589c

Keywords: Chemical bonding, Homogeneous catalysis, Non-covalent interactions, Reaction mechanisms, Sustainable catalysis

H-Bonding leading to latent initiators for olefin metathesis polymerization

Authors: Artur Brotons-Rufes, Naeimeh Bahri-Laleh, Albert Poater

Faraday Discussions, 2023, 244, 252-268

DOI: 10.1039/d2fd00163b

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

Site-selective methylene C–H oxidation of an alkyl diamine enabled by supramolecular recognition using a bioinspired manganese catalyst

Authors: Arnau Vicens, Laia Vicens, Giorgio Olivo, Osvaldo Lanzalunga, Stefano Di Stefano, Miquel Costas

Faraday Discussions, 2023, 244, 51-61

DOI: 10.1039/d2fd00177b

Keywords: Catalysis, Oxidation, Reaction mechanisms, Supramolecular chemistry, Sustainable catalysis

2022

Blue-Light-Induced Iron-Catalyzed α-Alkylation of Ketones

Authors: Marie-Samira Abdallah, Nicolas Joly, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud

Organic Letters, 2022, 24, 30, 5584-5589

DOI: 10.1021/acs.orglett.2c02233

Keywords: Catalysis, Computational chemistry, Light-driven synthesis, Organometallics, Sustainable catalysis

Effect of support hydrophobicity of halloysite‐based catalysts on the polyalphaolefin hydrofinishing performance

Authors: Arash Shams, Samahe Sadjadi, Josep Duran, Sílvia Simon, Albert Poater, Naeimeh Bahri‐Laleh

Applied Organometallic Chemistry, 2022, 36, 7

DOI: 10.1002/aoc.6719

Keywords: Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms, Sustainable catalysis

Combining Both Acceptorless Dehydrogenation and Borrowing Hydrogen Mechanisms in One System as Described by DFT Calculations

Authors: Alessandra Cicolella, Massimo C. D'Alterio, Josep Duran, Sílvia Simon, Giovanni Talarico, Albert Poater

Advanced Theory and Simulations, 2022, 5, 7

DOI: 10.1002/adts.202100566

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

The importance of the bite angle of metal(III) salen catalysts in the sequestration of CO2 with epoxides in mild conditions

Authors: Anna Vidal-López, Sergio Posada-Pérez, Miquel Solà, Valerio D'Elia, Albert Poater

Green Chemical Engineering, 2022, 3, 2, 180-187

DOI: 10.1016/j.gce.2021.12.010

Keywords: Catalysis, Chemical bonding, Predictive Chemistry, Reaction mechanisms, Sustainable catalysis

Never too late: Stereoselective alkyne semi-hydrogenation by Ir catalysis

Authors: Albert Poater

Chem Catalysis, 2022, 2, 6, 1245-1246

DOI: 10.1016/j.checat.2022.05.025

Keywords: Catalysis, Chemical bonding, Organometallics, Sustainable catalysis

NHC–BIAN–Cu(I)-Catalyzed Friedländer-Type Annulation of 2-Amino-3-(per)fluoroacetylpyridines with Alkynes on Water

Authors: Magdalena Dolna, Michał Nowacki, Oksana Danylyuk, Artur Brotons-Rufes, Albert Poater, Michał Michalak

The Journal of Organic Chemistry, 2022, 87, 9, 6115-6136

DOI: 10.1021/acs.joc.2c00380

Keywords: Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable catalysis

Nickel‐Catalyzed Csp2−OMe Functionalization for Chemoselective Aromatic Homologation En Route to Nanographenes

Authors: Lorena Capdevila, Judith Sala, Lutz Ackermann, Xavi Ribas

Chemistry – A European Journal, 2022, 28, 29

DOI: 10.1002/chem.202200625

Keywords: Catalysis, Cycloaddition, Organometallics, Reaction mechanisms, Sustainable catalysis

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

Regio, stereo and chemoselectivity of 2nd generation Grubbs ruthenium-catalyzed olefin metathesis

Authors: Eva Pump, Albert Poater, Naeimeh Bahri-Laleh, Raffaele Credendino, Luigi Serra, Vittorio Scarano, Luigi Cavallo

Catalysis Today, 2022, 388-389, 394-402

DOI: 10.1016/j.cattod.2020.04.071

Keywords: Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms, Sustainable catalysis

Remote Amino Acid Recognition Enables Effective Hydrogen Peroxide Activation at a Manganese Oxidation Catalyst

Authors: Laia Vicens, Giorgio Olivo, Miquel Costas

Angewandte Chemie International Edition, 2022, 61, 7

DOI: 10.1002/anie.202114932

Keywords: Catalysis, Oxidation, Reaction mechanisms, Supramolecular chemistry, Sustainable catalysis

Effect of the pore architecture of Ziegler-Natta catalyst on its behavior in propylene/1-hexene copolymerization

Authors: Arash Shams, Mohammadreza Mehdizadeh, HamidReza Teimoury, Mehrsa Emami, Seyed Amin Mirmohammadi, Samahe Sadjadi, Eduard Bardají, Albert Poater, Naeimeh Bahri-Laleh

Journal of Industrial and Engineering Chemistry, 2022, 116, 359-370

DOI: 10.1016/j.jiec.2022.09.026

Keywords: Catalysis, Organometallics, Sustainable catalysis

An efficient initiator system containing AlCl3 and supported ionic-liquid for the synthesis of conventional grade polyisobutylene in mild conditions

Authors: Saleh Yousefi, Naeimeh Bahri-Laleh, Mehdi Nekoomanesh, Mehrsa Emami, Samahe Sadjadi, Seyed Amin Mirmohammadi, Michele Tomasini, Eduard Bardají, Albert Poater

Journal of Molecular Liquids, 2022, 367, 120381

DOI: 10.1016/j.molliq.2022.120381

Keywords: Catalysis, Computational chemistry, Organometallics, Predictive Chemistry, Sustainable catalysis

Selective Biocatalytic N‐Methylation of Unsaturated Heterocycles

Authors: Felipe Ospina, Kai H. Schülke, Jordi Soler, Alina Klein, Benjamin Prosenc, Marc Garcia‐Borràs, Stephan C. Hammer

Angewandte Chemie International Edition, 2022, 61, 48

DOI: 10.1002/anie.202213056

Keywords: Catalysis, Enzyme design, 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

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

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