Publications

Authors: Masoud Komeijani, Naeimeh Bahri-Laleh, Zohreh Mirjafary, Massimo Christian D’Alterio, Morteza Rouhani, Hossein Sakhaeinia, Amin Hedayati Moghaddam, Seyed Amin Mirmohammadi, Albert Poater

Polymers, 2025, 17, 7, 845

DOI: 10.3390/polym17070845

Keywords: Chemical bonding, Computational chemistry, Organometallics, Predictive Chemistry, Reaction mechanisms

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

Challenges in olefin metathesis: past, present and future

Authors: Artur Brotons-Rufes, Sergio Posada-Pérez, Juan Pablo Martínez, Steven P. Nolan, Albert Poater

Coordination Chemistry Reviews, 2025, 542, 216827

DOI: 10.1016/j.ccr.2025.216827

Keywords: Computational chemistry, Homogeneous catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms

2024

From (Sub)Porphyrins to (Sub)Phthalocyanines: Aromaticity Signatures in the UV–Vis Absorption Spectra

Authors: Sílvia Escayola, Jorge Labella, Dariusz W. Szczepanik, Albert Poater, Tomas Torres, Miquel Solà, Eduard Matito

Inorganic Chemistry, 2024, 63, 39, 18251-18262

DOI: 10.1021/acs.inorgchem.4c03139

Keywords: Aromaticity, Chemical bonding, Joint Exp-Comp, Organometallics

Consolidation of the Oxidant‐Free Au(I)/Au(III) Catalysis Enabled by the Hemilabile Ligand Strategy

Authors: Pau Font, Hugo Valdés, Xavi Ribas

Angewandte Chemie International Edition, 2024, 63, 27

DOI: 10.1002/anie.202405824

Keywords: Cross-coupling reactions, Homogeneous catalysis, Ligand design, Organometallics

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

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

Chiral NHC Ligands for Enantioselective Gold(I) Catalysis Under Aerobic Conditions: the Importance of Conformational Flexibility and Steric Hindrance of NHC Ligand on Reactivity

Authors: Michał Michalak, Paweł Czerwiński, Katarzyna Śniady‐Maciążek, Szymon Musioł, Oksana Danylyuk, Michał Wierzbicki, Michele Tomasini, Albert Poater

Chemistry – A European Journal, 2024, 30, 13

DOI: 10.1002/chem.202303241

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

Rh‐Catalyzed Cycloaddition of C60 with Enynes: Unveiling the Mechanistic Pathway

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

Advanced Synthesis & Catalysis, 2024, 366, 4, 862-869

DOI: 10.1002/adsc.202301189

Keywords: Cycloaddition, Joint Exp-Comp, Organometallics, Photovoltaic materials, Reaction mechanisms

The Intermolecular Pauson‐Khand Reaction: Applications, Challenges, and Opportunities

Authors: Agustí Lledó, Jordi Solà

Advanced Synthesis & Catalysis, 2024, 366, 4, 574-592

DOI: 10.1002/adsc.202301236

Keywords: Cycloaddition, Homogeneous catalysis, Ligand design, Organometallics, Reaction mechanisms

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

Selective Cross‐Metathesis Versus Ring‐Closing Metathesis of Terpenes, Taking the Path Less Travelled

Authors: Keren Iudanov, Noy B. Nechmad, Albert Poater, N. Gabriel Lemcoff

Angewandte Chemie International Edition, 2024, 63, 52

DOI: 10.1002/anie.202412430

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

Design and Synthesis of a Novel Catalytic System Based on Pd Supported on Alumina Extrudates for Hydrotreating of PAO Lubricants

Authors: Mahsa Karimi, Samahe Sadjadi, Hassan Arabi, Naeimeh Bahri‐Laleh, Albert Poater

Applied Organometallic Chemistry, 2024, 38, 12

DOI: 10.1002/aoc.7730

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

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