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2023

Pioneering the Power of Twin Bonds in a Revolutionary Double Bond Formation. Unveiling the True Identity of o‐Carboryne as o‐Carborene

Authors: Jordi Poater, Clara Viñas, Sílvia Escayola, Miquel Solà, Francesc Teixidor

Chemistry – A European Journal, 2023, 29, 69

DOI: 10.1002/chem.202302448

Keywords: Aromaticity, Chemical bonding, Organometallics

Influence of the Ethanol Content of Adduct on the Comonomer Incorporation of Related Ziegler–Natta Catalysts in Propylene (Co)polymerizations

Authors: Mohammadreza Mehdizadeh, Fereshteh Karkhaneh, Mehdi Nekoomanesh, Samahe Sadjadi, Mehrsa Emami, HamidReza Teimoury, Mehrdad Salimi, Miquel Solà, Albert Poater, Naeimeh Bahri-Laleh, Sergio Posada-Pérez

Polymers, 2023, 15, 23, 4476

DOI: 10.3390/polym15234476

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

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

Base‐Stabilized Phosphinidene Oxide, Imide and Sulfide

Authors: Aliona G. Baradzenka, Sergei F. Vyboishchikov, Melanie Pilkington, Georgii I. Nikonov

Chemistry – A European Journal, 2023, 29, 59

DOI: 10.1002/chem.202301842

Keywords: Computational chemistry, Joint Exp-Comp, Organometallics, Reaction mechanisms

Carbon Dioxide Conversion on Supported Metal Nanoparticles: A Brief Review

Authors: Sergio Posada-Pérez, Miquel Solà, Albert Poater

Catalysts, 2023, 13, 2, 305

DOI: 10.3390/catal13020305

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

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

Site selective gold(i)-catalysed benzylic C–H amination via an intermolecular hydride transfer to triazolinediones

Authors: Kevin Bevernaege, Nikolaos V. Tzouras, Albert Poater, Luigi Cavallo, Steven P. Nolan, Fady Nahra, Johan M. Winne

Chemical Science, 2023, 14, 36, 9787-9794

DOI: 10.1039/d3sc03683a

Keywords: Chemical bonding, Computational chemistry, Homogeneous catalysis, Joint Exp-Comp, Organometallics

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

Highly dispersed Rh single atoms over graphitic carbon nitride as a robust catalyst for the hydroformylation reaction

Authors: Lole Jurado, Jerome Esvan, Ligia A. Luque-Álvarez, Luis F. Bobadilla, José A. Odriozola, Sergio Posada-Pérez, Albert Poater, Aleix Comas-Vives, M. Rosa Axet

Catalysis Science & Technology, 2023, 13, 5, 1425-1436

DOI: 10.1039/d2cy02094g

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

2022

Csp2–H Amination Reactions Mediated by Metastable Pseudo-OhMasked Aryl-CoIII-nitrene Species

Authors: Lorena Capdevila, Marc Montilla, Oriol Planas, Artur Brotons, Pedro Salvador, Vlad Martin-Diaconescu, Teodor Parella, Josep M. Luis, Xavi Ribas

Inorganic Chemistry, 2022, 61, 35, 14075-14085

DOI: 10.1021/acs.inorgchem.2c02111

Keywords: Catalysis, Density Functional Theory, Organometallics, Reaction mechanisms, Spectroscopy

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

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

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

Knölker Iron Catalysts for Hydrogenation Revisited: A Nonspectator Solvent and Fine-Tuning

Authors: Martí Gimferrer, Nicolas Joly, Sílvia Escayola, Eduard Viñas, Sylvain Gaillard, Miquel Solà, Jean-Luc Renaud, Pedro Salvador, Albert Poater

Organometallics, 2022, 41, 10, 1204-1215

DOI: 10.1021/acs.organomet.2c00099

Keywords: Aromaticity, Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms

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

Molecular modelling aided catalyst design for PAO oils hydrofinishing

Authors: Mohammadreza Mehdizadeh, Samahe Sadjadi, Albert Poater, AmirMohammad Mansouri, Naeimeh Bahri-Laleh

Journal of Molecular Liquids, 2022, 352, 118675

DOI: 10.1016/j.molliq.2022.118675

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

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

Buchwald–Hartwig Amination and C–S/S–H Metathesis of Aryl Sulfides by Selective C–S Cleavage Mediated by Air- and Moisture-Stable [Pd(NHC)(μ-Cl)Cl]2 Precatalysts: Unified Mechanism for Activation of Inert C–S Bonds

Authors: Shiyi Yang, Xiang Yu, Albert Poater, Luigi Cavallo, Catherine S. J. Cazin, Steven P. Nolan, Michal Szostak

Organic Letters, 2022, 24, 50, 9210-9215

DOI: 10.1021/acs.orglett.2c03717

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

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