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2025

Iron-Catalyzed Intermolecular N–H Insertion Using Acceptor–Acceptor Carbenes Derived from Iodonium Ylides

Authors: Àlex Díaz-Jiménez, Nil Insa-Carreras, Anna Roglans, Anna Pla-Quintana, Miquel Costas

Organic Letters, 2025, 27, 29, 7804-7809

DOI: 10.1021/acs.orglett.5c02000

Keywords: Homogeneous catalysis, Reaction mechanisms, Sustainable catalysis

First Row Transition Metals in Olefin Metathesis: The Role of Iron and Manganese

Authors: Artur Brotons Rufes, Juan Pablo Martínez, Nicolas Joly, Sylvain Gaillard, Jean Luc Renaud, Sergio Posada Pérez, Albert Poater

ChemCatChem, 2025, 17, 13

DOI: 10.1002/cctc.202500570

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

Manganese‐Catalyzed Enantioselective Dearomative Epoxidation of Naphthalenes with Aqueous Hydrogen Peroxide

Authors: Najoua Choukairi Afailal, Siu‐Chung Chan, Miquel Costas

Angewandte Chemie International Edition, 2025, 64, 26

DOI: 10.1002/anie.202504356

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

Hydrogen Evolution and Carbon Dioxide Reduction Pathways on Graphitic Carbon Nitride Decorated by Single Atoms of Transition Metals‡

Authors: Anna Vidal-López, Joan Gassó-Capdevila, Miquel Solà, Albert Poater, Sergio Posada-Pérez

The Journal of Physical Chemistry C, 2025, 129, 17, 8075-8085

DOI: 10.1021/acs.jpcc.4c08038

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

Dehydrogenative Coupling Reaction for the Synthesis of 5‐ and 6‐Heterocyclic Derivatives Catalyzed by Earth‐Abundant Metal‐Based Complexes

Authors: Nicolas Joly, Clara Mauclaire, Sylvain Gaillard, Albert Poater, Jean‐Luc Renaud

Asian Journal of Organic Chemistry, 2025, 14, 5

DOI: 10.1002/ajoc.202400728

Keywords: Homogeneous catalysis, Joint Exp-Comp, Sustainable catalysis

Choline-based amino acid ionic liquids for CO2 capture

Authors: Abdul Rajjak Shaikh, Andrea Grillo, Massimo Christian D’Alterio, Jason J. Pajski, Syazwani Itri Amran, Hira Karim, Mohit Chawla, Giovanni Talarico, Albert Poater, Luigi Cavallo

Journal of Molecular Liquids, 2025, 424, 127084

DOI: 10.1016/j.molliq.2025.127084

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

Unveiling the Catalytic Activity of Nickel(II) Complexes of Pentadentate Ligands in Aromatic Oxidations

Authors: Anjana Rajeev, Sethuraman Muthuramalingam, Visvesvarar Pitchai Murugan, Miquel Costas, Prabha Vadivelu, Muniyandi Sankaralingam

ChemCatChem, 2025, 17, 6

DOI: 10.1002/cctc.202401645

Keywords: Homogeneous catalysis, Oxidation, Reaction mechanisms, Sustainable catalysis

Copper‐Catalysed Synthesis of (E)‐Allylic Organophosphorus Derivatives: A Low Toxic, Mild, Economical, and Ligand‐Free Method

Authors: Lucas Pagès, Gracjan Kurpik, Rosa Mollfulleda, Racha Abed Ali Abdine, Anna Walczak, Florian Monnier, Marcel Swart, Artur R. Stefankiewicz, Marc Taillefer

ChemSusChem, 2025, 18, 2

DOI: 10.1002/cssc.202401450

Keywords: Computational chemistry, Homogeneous catalysis, Sustainable catalysis

A comprehensive review of approaches, systems, and materials used in adsorption-based atmospheric water harvesting

Authors: Muhammad Ehtisham, Muhammad Saeed-Ul-Hassan, Albert Poater

Science of The Total Environment, 2025, 958, 177885

DOI: 10.1016/j.scitotenv.2024.177885

Keywords: Biomolecules and biomaterials, Nanomaterials, Sustainable catalysis, Translational research

Electrophilic insertion and ring growth in 1,2,5-azadiborolidines: theoretical evidence for boron-driven expansion

Authors: Victor A. Lucas-Rosales, Miguel A. Vázquez, Gabriel Merino, Albert Poater, J. Oscar C. Jiménez-Halla

Organic Chemistry Frontiers, 2025, 12, 19, 5146-5156

DOI: 10.1039/d5qo01081k

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

2024

Biocatalytic desymmetrization for synthesis of chiral enones using flavoenzymes

Authors: Qing-Qing Zeng, Qian-Yi Zhou, Carla Calvó-Tusell, Shuang-Yu Dai, Xiang Zhao, Marc Garcia-Borràs, Zhen Liu

Nature Synthesis, 2024, 3, 11, 1340-1348

DOI: 10.1038/s44160-024-00596-4

Keywords: Biocatalysis, Enzyme design, Sustainable catalysis

Matrix Effect on Singlet Oxygen Generation Using Methylene Blue as Photosensitizer

Authors: Jianan Xu, Laurent Bonneviot, Yannick Guari, Cyrille Monnereau, Kun Zhang, Albert Poater, Montserrat Rodríguez-Pizarro, Belén Albela

Inorganics, 2024, 12, 6, 155

DOI: 10.3390/inorganics12060155

Keywords: Chemical bonding, Computational chemistry, Excited states, Sustainable catalysis

Blue‐Light Induced Iron‐Catalyzed Synthesis of γ,δ‐Unsaturated Ketones

Authors: Nicolas Joly, Alessandro Colella, Monique‐Edwige Mendy, Mbaye Diagne Mbaye, Sylvain Gaillard, Albert Poater, Jean‐Luc Renaud

ChemSusChem, 2024, 17, 7

DOI: 10.1002/cssc.202301472

Keywords: Excited states, Organometallics, Reaction mechanisms, Sustainable catalysis

Chemical dealcoholation of MgCl2·EtOH adduct by Al compounds and its effect on the performance of Ziegler–Natta catalysts

Authors: Reza Bazvand, Naeimeh Bahri‐Laleh, Hossein Abedini, Mehdi Nekoomanesh, Albert Poater

Applied Organometallic Chemistry, 2024, 38, 3

DOI: 10.1002/aoc.7300

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

Amino acid ionic liquids as efficient catalysts for CO2 capture: A combined static and dynamic approach

Authors: Abdul Rajjak Shaikh, Anna Vidal-López, Artur Brotons-Rufes, Jason J. Pajski, Sadain Zafar, Raisul Awal Mahmood, Muhammad Usman Khan, Albert Poater, Mohit Chawla, Luigi Cavallo

Results in Surfaces and Interfaces, 2024, 14, 100175

DOI: 10.1016/j.rsurfi.2023.100175

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

Ring Opening Polymerization of Six- and Eight-Membered Racemic Cyclic Esters for Biodegradable Materials

Authors: Andrea Grillo, Yolanda Rusconi, Massimo Christian D'Alterio, Claudio De Rosa, Giovanni Talarico, Albert Poater

International Journal of Molecular Sciences, 2024, 25, 3, 1647

DOI: 10.3390/ijms25031647

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

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

Ziegler-Natta catalyst particle size control in propylene/α-olefin (co)polymerizations

Authors: Arash Shams, Fereshteh Karkhaneh, Mehrsa Emami, HamidReza Teimoury, Hossein Ali Khonakdar, Àngel Oliveras, Roger Monreal-Corona, Anna Pla-Quintana, Albert Poater, Naeimeh Bahri-Laleh

Molecular Catalysis, 2024, 553, 113748

DOI: 10.1016/j.mcat.2023.113748

Keywords: Organometallics, Regioselectivite functionalization, Sustainable catalysis

Iron-catalyzed synthesis of substituted 3-arylquinolin-2(1H)-ones via an intramolecular dehydrogenative coupling of amido-alcohols

Authors: Léo Bettoni, Nicolas Joly, Inès Mendas, Matteo Maria Moscogiuri, Jean-François Lohier, Sylvain Gaillard, Albert Poater, Jean-Luc Renaud

Organic & Biomolecular Chemistry, 2024, 22, 34, 6933-6940

DOI: 10.1039/d4ob00649f

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

%VBur index and steric maps: from predictive catalysis to machine learning

Authors: Sílvia Escayola, Naeimeh Bahri-Laleh, Albert Poater

Chemical Society Reviews, 2024, 53, 2, 853-882

DOI: 10.1039/d3cs00725a

Keywords: Chemical bonding, Computational chemistry, Machine learning, Predictive Chemistry, Sustainable catalysis

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