Publications

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Results: 13

Laia Vicens, Giorgio Olivo, Miquel Costas
Rational Design of Bioinspired Catalysts for Selective Oxidations
ACS Catal., 2020, 10, 8611-8631
DOI: 10.1021/acscatal.0c02073
OpenAccess: –
Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis

Giorgio Olivo, Giorgio Capocasa, Barbara Ticconi, Osvaldo Lanzalunga, Stefano Di Stefano, Miquel Costas
Predictable selectivity in remote C‐H Oxidation of steroids via analysis of substrate binding mode
Angew. Chem. Int. Ed., 2020, 59, 12703-12708
DOI: 10.1002/anie.202003078
OpenAccess: –
Keywords: Catalysis, High-valent metal complexes, Oxidation, Predictive Chemistry, Supramolecular chemistry

Lorenzo D’Amore, Leonardo Belpassi, Johannes E. M. N. Klein, Marcel Swart
Spin-resolved charge displacement analysis as an intuitive tool for the evaluation of cPCET and HAT scenarios
Chem. Commun. , 2020, 56, 12146-12149
DOI: 10.1039/d0cc04995f
OpenAccess: Link
Keywords: Catalysis, Chemical bonding, High-valent metal complexes, Reaction mechanisms, Spin states

BrendaN. Sánchez-Eguía, Joan Serrano-Plana, Anna Company, Miquel Costas
Catalytic O₂ activation with synthetic models of α-ketoglutarate dependent oxygenases
Chem. Commun., 2020, 56, 14369-14372
DOI: 10.1039/D0CC05942K
OpenAccess: –
Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis

Valeria Dantignana, Anna Company, Miquel Costas
Catalytic Oxidation of Primary C–H Bonds in Alkanes with Bioinspired Catalysts
Chimia (AARAU), 2020, 74, 470-477
DOI: 10.2533/chimia.2020.470
OpenAccess: Link
Keywords: Catalysis, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis

Giorgio Capocasa, Marika Di Berto Mancini, Federico Frateloreto, Osvaldo Lanzalunga, Giorgio Olivo, Stefano Di Stefano
Easy Synthesis of a Self-Assembled Imine-based Iron(II) Complex Endowed with Crown-ethers Receptors
Eur. J. Org. Chem., 2020, 2020, 3390-3397
DOI: 10.1002/ejoc.202000388
OpenAccess: –
Keywords: Catalysis, High-valent metal complexes, Method development, Oxidation, Supramolecular chemistry

Pau Besalú-Sala, Carla Magallón, Miquel Costas, Anna Company, Josep M. Luis
Mechanistic Insights into theortho -Defluorination-Hydroxylation of 2-Halophenolates Promoted by a Bis(μ-oxo)dicopper(III) Complex
Inorg. Chem., 2020, 59, 17018–17027
DOI: 10.1021/acs.inorgchem.0c02246
OpenAccess: –
Keywords: Density Functional Theory, High-valent metal complexes, Oxidation, Reaction mechanisms, Sustainable Catalysis

Filip Vlahovic, Maja Gruden, Stepan Stepanovic, Marcel Swart
Density functional approximations for consistent spin and oxidation states of oxoiron complexes
Int J Quantum Chem, 2020, 120, e26121
DOI: 10.1002/qua.26121
OpenAccess: Link
Keywords: Density Functional Theory, High-valent metal complexes, Spin states

Valeria Dantignana, Anna Company, Miquel Costas
Oxoiron(V) Complexes of Relevance in Oxidation Catalysis of Organic Substrates
Isr. J. Chem., 2020, 60, 1004-1018
DOI: 10.1002/ijch.201900161
OpenAccess: –
Keywords: Catalysis, High-valent metal complexes, Oxidation, Spectroscopy, Sustainable Catalysis

Saikat Banerjee, Apparao Draksharapu, Patrick Crossland, Ruixi Fan, Yisong Guo, Marcel Swart, Lawrence Que
Sc3+-promoted O–O bond cleavage of a (μ-1,2-peroxo)diiron(III) species formed from an iron(II) precursor and O2 to generate a complex with an FeIV2(μ-O)2 core
J. Am. Chem. Soc., 2020, 142, 4285-4297
DOI: 10.1021/jacs.9b12081
OpenAccess: Link
Keywords: Catalysis, Density Functional Theory, High-valent metal complexes, Reaction mechanisms, Homogeneous catalysis