Publications

Advanced filters

Author/s: Enter the author's full name or part of their name

Keyword: Filter by specific keyword

2024

Photoinduced Selective B–H Activation of nido-Carboranes

Authors: Shengwen Xu, Hongjian Zhang, Jingkai Xu, Weiqun Suo, Chang-Sheng Lu, Deshuang Tu, Xingwei Guo, Jordi Poater, Miquel Solà, Hong Yan

Journal of the American Chemical Society, 2024, 146, 11, 7791-7802

DOI: 10.1021/jacs.4c00550

Keywords: Aromaticity, Electron and energy transfer, Excited states, Joint Exp-Comp, Reaction mechanisms

Access to Secondary Amines through Hydrogen Autotransfer Reaction Mediated by KOtBu

Authors: Hima P, Michele Tomasini, Vageesh M, Albert Poater, Raju Dey

European Journal of Organic Chemistry, 2024, 27, 11

DOI: 10.1002/ejoc.202301213

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

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

Synthesis, Structure and Reactivity of a Mononuclear N,N,O‐Bound Fe(II) α‐Keto‐Acid Complex

Authors: Emily C. Monkcom, Laura Gómez, Martin Lutz, Shengfa Ye, Eckhard Bill, Miquel Costas, Robertus J. M. Klein Gebbink

Chemistry – A European Journal, 2024, 30, 11

DOI: 10.1002/chem.202302710

Keywords: High-valent metal complexes, Ligand design, 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

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

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

Enhanced Proton-Coupled Electron-Transfer Reactivity by a Mononuclear Nickel(II) Hydroxide Radical Complex

Authors: Daniel Ye, Tong Wu, Ankita Puri, David D. Hebert, Maxime A. Siegler, Michael P. Hendrich, Marcel Swart, Isaac Garcia-Bosch

Inorganic Chemistry, 2024, 63, 52, 24453-24465

DOI: 10.1021/acs.inorgchem.4c03370

Keywords: Homogeneous catalysis, Joint Exp-Comp, Reaction mechanisms

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

[4+2]‐Cycloaddition Reactions to Corannulene Accelerated by η6‐Coordination of Ruthenium Complexes

Authors: Amir Lebcir, Abbes Boukhari, Miquel Solà, Yago García‐Rodeja

European Journal of Organic Chemistry, 2024, 27, 41

DOI: 10.1002/ejoc.202400697

Keywords: Cycloaddition, Homogeneous catalysis, Organometallics, Reaction mechanisms

Mechanism of Dinitrogen Photoactivation by P2PPhFe Complexes: Thermodynamic and Kinetic Computational Studies

Authors: Camilo Prada, Eugenia Dzib, Francisco Núñez-Zarur, Pedro Salvador, Gabriel Merino, Carmen J. Calzado, Jhon Zapata-Rivera

Inorganic Chemistry, 2024, 63, 44, 21364-21374

DOI: 10.1021/acs.inorgchem.4c04006

Keywords: Chemical bonding, Reaction mechanisms, Real-space analysis

Role of non-redox innocent ligand units in the oxidation of alcohols with H2O2 catalyzed by μ-oxido-diiron(III) bis-phenolato polypyridyl complexes

Authors: Duenpen Unjaroen, Daniël R. Duijnstee, Marika Di Berto Mancini, Juan Chen, Ronald Hage, Marcel Swart, Wesley R. Browne

Journal of Inorganic Biochemistry, 2024, 260, 112698

DOI: 10.1016/j.jinorgbio.2024.112698

Keywords: High-valent metal complexes, Homogeneous catalysis, Joint Exp-Comp, Reaction mechanisms, Spectroscopy

Cu-Promoted ipso-Hydroxylation of sp2 Bonds with Concomitant Aromatic 1,2-Rearrangement Involving a Cu-oxyl-hydroxo Species

Authors: Sunipa Goswami, Karan Gill, Xinyi Yin, Marcel Swart, Isaac Garcia-Bosch

Inorganic Chemistry, 2024, 63, 43, 20675-20688

DOI: 10.1021/acs.inorgchem.4c03304

Keywords: Homogeneous catalysis, Joint Exp-Comp, Reaction mechanisms

Exohedral Diels‐Alder Reactivity of Endohedral Metallofullerene C36

Authors: Athul Santha Bhaskaran, Dani Romero del Blanco, Adrià Romero‐Rivera, Sílvia Osuna, Marcel Swart

Chemistry – A European Journal, 2024, 30, 58

DOI: 10.1002/chem.202401568

Keywords: Chemical bonding, Nanocages, Reaction mechanisms

Preserving precise choreography of bonds in Z-stereoretentive olefin metathesis by using quinoxaline-2,3-dithiolate ligand

Authors: Łukasz Grzesiński, Maryana Nadirova, Jannick Guschlbauer, Artur Brotons-Rufes, Albert Poater, Anna Kajetanowicz, Karol Grela

Nature Communications, 2024, 15, 1

DOI: 10.1038/s41467-024-52876-4

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

Hydrophenoxylation of alkynes by gold catalysts: a mini review

Authors: Miguel Ramos, Miquel Solà, Albert Poater

Journal of Molecular Modeling, 2024, 30, 10

DOI: 10.1007/s00894-024-06152-3

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

Proton-triggered chemoselective halogenation of aliphatic C–H bonds with nonheme FeIV-oxo complexes

Authors: Neus Pagès-Vilà, Ilaria Gamba, Martin Clémancey, Jean-Marc Latour, Anna Company, Miquel Costas

Journal of Inorganic Biochemistry, 2024, 259, 112643

DOI: 10.1016/j.jinorgbio.2024.112643

Keywords: High-valent metal complexes, Oxidation, Reaction mechanisms, Spectroscopy

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

« Previous 1 234 5...14 Next »