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Results: 78

Arnau Call, Andrea Palone, JordanP. Liles, Natalie P. Romer, Jacquelyne A. Read, JosepM. Luis, Matthew S. Sigman, Massimo Bietti, Miquel Costas
Understanding Catalytic Enantioselective C–H Bond Oxidation at Nonactivated Methylenes Through Predictive Statistical Modeling Analysis
ACS Catal., 2025, 15, 2110-2123
DOI: 10.1021/acscatal.4c05659
OpenAccess: Link
Keywords: Homogeneous catalysis, Oxidation, Predictive Chemistry, Reaction mechanisms, Regioselectivite functionalization

Anjana Rajeev, Sethuraman Muthuramalingam, VisvesvararPitchai Murugan, Miquel Costas, Prabha Vadivelu, Muniyandi Sankaralingam
Unveiling the Catalytic Activity of Nickel(II) Complexes of Pentadentate Ligands in Aromatic Oxidations
ChemCatChem, 2025, 17, ASAP-
DOI: 10.1002/cctc.202401645
OpenAccess: –
Keywords: Homogeneous catalysis, Oxidation, Reaction mechanisms, Sustainable Catalysis

Nabhendu Pal, Jin Xiong, Mehmet Jahja, Sami Mahri, VictorG. Young, Yisong Guo, Marcel Swart, Lawrence Que
A 5,000-fold increase in the HAT reactivity of a nonheme Fe^IV =O complex simply by replacing two pyridines of the pentadentate N4Py ligand with pyrazoles
Proc. Natl. Acad. Sci. U.S.A., 2025, 122, ASAP-
DOI: 10.1073/pnas.2414962122
OpenAccess: –
Keywords: Homogeneous catalysis, Oxidation, Reaction mechanisms, Spin states

Andrea Álvarez-Núñez, Rudraditya Sarkar, Valeria Dantignana, Jin Xiong, Yisong Guo, Josep M. Luis, Miquel Costas, Anna Company
Intramolecular C–H Oxidation in Iron(V)-oxo-carboxylato Species Relevant in the γ-Lactonization of Alkyl Carboxylic Acids
ACS Catal., 2024, 14, 14183-14194
DOI: 10.1021/acscatal.4c01258
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Regioselectivite functionalization

Alessandro Fagnano, Federico Frateloreto, Roberta Paoloni, Carla Sappino, Osvaldo Lanzalunga, Miquel Costas, Stefano Di Stefano, Giorgio Olivo
Proximity Effects on the Reactivity of a Nonheme Iron (IV) Oxo Complex in C−H Oxidation
Angew Chem Int Ed, 2024, 63, e202401694
DOI: 10.1002/anie.202401694
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Regioselectivite functionalization, Supramolecular chemistry

Siu-Chung Chan, Andrea Palone, Massimo Bietti, Miquel Costas
tert‐Butyl as a Functional Group: Non‐Directed Catalytic Hydroxylation of Sterically Congested Primary C−H Bonds
Angew Chem Int Ed, 2024, 63, e202402858
DOI: 10.1002/anie.202402858
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Regioselectivite functionalization

Marcel Swart, Marc Reimann
A benchmark study of dioxygen complexes based on coupled cluster and density functional theory
ChemRxiv, 2024, [], []
DOI: 10.26434/chemrxiv-2023-56kdv-v2
OpenAccess: Link
Keywords: Computational chemistry, Method development, Oxidation, Spectroscopy

Abhishek Das, Nabhendu Pal, Jin Xiong, Victor G. Young, Yisong Guo, Marcel Swart, Lawrence Que
10-Fold Increase in Hydrogen Atom Transfer Reactivity for a Series ofS = 1 FeIV ═O Complexes Over theS = 2 [(TQA)FeIV ═O]2+ Complex via Entropic Lowering of Reaction Barriers by Secondary Sphere Cycloalkyl Substitution
J. Am. Chem. Soc, 2024, ASAP-, []
10.1021/jacs.4c10120
OpenAccess: –
Keywords: High-valent metal complexes, Joint Exp-Comp, Oxidation, Reaction mechanisms, Spectroscopy

Najoua Choukairi Afailal, Margarida Borrell, Marco Cianfanelli, Miquel Costas
Dearomativesyn -Dihydroxylation of Naphthalenes with a Biomimetic Iron Catalyst
J. Am. Chem. Soc., 2024, 146, 240-249
DOI: 10.1021/jacs.3c08565
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Sustainable Catalysis

Marco Galeotti, Massimo Bietti, Miquel Costas
Catalyst and Medium Control over Rebound Pathways in Manganese-Catalyzed Methylenic C–H Bond Oxidation
J. Am. Chem. Soc., 2024, 146, 8904-8914
DOI: 10.1021/jacs.3c11555
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Oxidation, Reaction mechanisms, Regioselectivite functionalization