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2025

Catalytic Dioxygen Activation Using a Diketopiperazine and a Manganese Catalyst for Selective C(sp3)–H Oxidation

Authors: Kyriaki Gennaiou, Arnau Call, Nikos Siakavaras, Miquel Costas, Alexandros L. Zografos

JACS Au, 2025, 5, 8, 4106-4113

DOI: 10.1021/jacsau.5c00759

Keywords: Homogeneous catalysis, Method development, Oxidation, Regioselectivite functionalization

Understanding Catalytic Enantioselective C–H Bond Oxidation at Nonactivated Methylenes Through Predictive Statistical Modeling Analysis

Authors: Arnau Call, Andrea Palone, Jordan P. Liles, Natalie P. Romer, Jacquelyne A. Read, Josep M. Luis, Matthew S. Sigman, Massimo Bietti, Miquel Costas

ACS Catalysis, 2025, 15, 3, 2110-2123

DOI: 10.1021/acscatal.4c05659

Keywords: Homogeneous catalysis, Oxidation, Predictive Chemistry, Reaction mechanisms, Regioselectivite functionalization

Diels–Alder Cycloaddition of Cyclopentadiene to C60 and Si60 and Their Endohedral Li+ Counterparts

Authors: Omkar Charapale, Jordi Poater, Sergio Posada-Pérez, Miquel Solà, Albert Poater

The Journal of Physical Chemistry A, 2025, 129, 5, 1386-1395

DOI: 10.1021/acs.jpca.4c08287

Keywords: Cycloaddition, Reaction mechanisms, Regioselectivite functionalization

On the Functionalization of C60 with Vinylallenes Generated in situ by Rhodium Catalysis

Authors: Cristina Castanyer, Albert Artigas, Miquel Solà, Anna Pla‐Quintana, Anna Roglans

Advanced Synthesis & Catalysis, 2025, 367, 4

DOI: 10.1002/adsc.202401163

Keywords: Cycloaddition, Homogeneous catalysis, Organometallics, Reaction mechanisms, Regioselectivite functionalization

2024

Intramolecular C–H Oxidation in Iron(V)-oxo-carboxylato Species Relevant in the γ-Lactonization of Alkyl Carboxylic Acids

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

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

Synthesis of 1H-Isoindole-Containing Scaffolds Enabled by a Nitrile Trifunctionalization

Authors: Àlex Díaz-Jiménez, Roger Monreal-Corona, Miquel Solà, Albert Poater, Anna Roglans, Anna Pla-Quintana

ACS Catalysis, 2024, 14, 10, 7381-7388

DOI: 10.1021/acscatal.4c00932

Keywords: Cycloaddition, Homogeneous catalysis, Organometallics, Reaction mechanisms, Regioselectivite functionalization

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

Regioswitchable Bingel Bis-Functionalization of Fullerene C70 via Supramolecular Masks

Authors: Valentina Iannace, Clara Sabrià, Youzhi Xu, Max von Delius, Inhar Imaz, Daniel Maspoch, Ferran Feixas, Xavi Ribas

Journal of the American Chemical Society, 2024, 146, 8, 5186-5194

DOI: 10.1021/jacs.3c10808

Keywords: Confined space, Cycloaddition, Molecular Dynamics interactions, Nanocages, Regioselectivite functionalization

Unveiling the regioselectivity of rhodium(I)-catalyzed [2 + 2 + 2] cycloaddition reactions for open-cage C70 production

Authors: Cristina Castanyer, Anna Pla-Quintana, Anna Roglans, Albert Artigas, Miquel Solà

Beilstein Journal of Organic Chemistry, 2024, 20, 272-279

DOI: 10.3762/bjoc.20.28

Keywords: Cycloaddition, Homogeneous catalysis, Joint Exp-Comp, Organometallics, Regioselectivite functionalization

Influence of the reaction conditions on the Ziegler-Natta catalyzed ethylene polymerization: Kinetics and properties of the resulting polymers

Authors: Nazanin Moeini, Hamidreza Teimoury, Mehrdad Salimi, Naeimeh Bahri-Laleh, Mohammad Joshaghani, Josep Duran, Albert Poater, Sergio Posada-Pérez

Polymer, 2024, 293, 126640

DOI: 10.1016/j.polymer.2023.126640

Keywords: Chemical bonding, Computational chemistry, Joint Exp-Comp, Reaction mechanisms, Regioselectivite functionalization

The metal role on the activity and stereoselectivity of ring opening polymerization of racemic lactide promoted by Salen catalysts

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

Polymer, 2024, 292, 126639

DOI: 10.1016/j.polymer.2023.126639

Keywords: Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms, Regioselectivite functionalization

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

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

C–H Bonds as Functional Groups: Simultaneous Generation of Multiple Stereocenters by Enantioselective Hydroxylation at Unactivated Tertiary C–H Bonds

Authors: Andrea Palone, Guillem Casadevall, Sergi Ruiz-Barragan, Arnau Call, Sílvia Osuna, Massimo Bietti, Miquel Costas

Journal of the American Chemical Society, 2023, 145, 29, 15742-15753

DOI: 10.1021/jacs.2c10148

Keywords: Computational chemistry, Homogeneous catalysis, Oxidation, Regioselectivite functionalization, Sustainable catalysis

Highly Selective C(sp3)–H Bond Oxygenation at Remote Methylenic Sites Enabled by Polarity Enhancement

Authors: Sergio Sisti, Marco Galeotti, Filippo Scarchilli, Michela Salamone, Miquel Costas, Massimo Bietti

Journal of the American Chemical Society, 2023, 145, 40, 22086-22096

DOI: 10.1021/jacs.3c07658

Keywords: Homogeneous catalysis, Oxidation, Regioselectivite functionalization, Sustainable catalysis