Copper–oxygen adducts: new trends in characterization and properties towards C–H activation
J De Tovar, R Leblay, Y Wang, L Wojcik… - Chemical …, 2024 - pubs.rsc.org
This review summarizes the latest discoveries in the field of C–H activation by copper
monoxygenases and more particularly by their bioinspired systems. This work first describes …
monoxygenases and more particularly by their bioinspired systems. This work first describes …
Mechanisms for hydrogen-atom abstraction by mononuclear copper (III) cores: Hydrogen-atom transfer or concerted proton-coupled electron transfer?
M Mandal, CE Elwell, CJ Bouchey, TJ Zerk… - Journal of the …, 2019 - ACS Publications
In a possibly biomimetic fashion, formally copper (III)–oxygen complexes LCu (III)–OH (1)
and LCu (III)–OOCm (2)(L2–= N, N′-bis (2, 6-diisopropylphenyl)-2, 6 …
and LCu (III)–OOCm (2)(L2–= N, N′-bis (2, 6-diisopropylphenyl)-2, 6 …
Theory Demonstrated a “Coupled” Mechanism for O2 Activation and Substrate Hydroxylation by Binuclear Copper Monooxygenases
P Wu, F Fan, J Song, W Peng, J Liu, C Li… - Journal of the …, 2019 - ACS Publications
Multiscale simulations have been performed to address the longstanding issue of “dioxygen
activation” by the binuclear copper monooxygenases (PHM and DβM), which have been …
activation” by the binuclear copper monooxygenases (PHM and DβM), which have been …
Effects of Charged Ligand Substituents on the Properties of the Formally Copper(III)-Hydroxide ([CuOH]2+) Unit
With the goal of understanding how distal charge influences the properties and hydrogen
atom transfer (HAT) reactivity of the [CuOH] 2+ core proposed to be important in oxidation …
atom transfer (HAT) reactivity of the [CuOH] 2+ core proposed to be important in oxidation …
Theoretical perspective on mononuclear copper-oxygen mediated C–H and O–H activations: A comparison between biological and synthetic systems
Dioxygen activations constitute one of core issues in copper-dependent metalloenzymes.
Upon O 2 activation, copper-dependent metalloenzymes such as particulate methane …
Upon O 2 activation, copper-dependent metalloenzymes such as particulate methane …
Homolytic X‐H Bond Cleavage at a Gold (III) Hydroxide: Insights into One‐Electron Events at Gold
Abstract C (sp3)‐H and O− H bond breaking steps in the oxidation of 1, 4‐cyclohexadiene
and phenol by a Au (III)‐OH complex were studied computationally. The analysis reveals …
and phenol by a Au (III)‐OH complex were studied computationally. The analysis reveals …
How Does Electronic Activity Drive Chemical Reactions? Insights from the Reaction Electronic Flux for the Conversion of Dopamine into Norepinephrine
AC Forero-Girón, A Toro-Labbé - The Journal of Physical …, 2022 - ACS Publications
Hydrogen atom transfer (HAT) is a crucial step in the physiological conversion of dopamine
into norepinephrine catalyzed by dopamine β-monooxygenase. The way the reaction takes …
into norepinephrine catalyzed by dopamine β-monooxygenase. The way the reaction takes …
How does dopamine convert into norepinephrine? Insights on the key step of the reaction
AC Forero-Girón, A Toro-Labbé - Journal of Molecular Modeling, 2025 - Springer
Methods The dopamine and a computational model of the copper superoxo complex on
D\(\beta\) M were optimized at B3LYP-D3 (BJ)/6-311 G (d, p) level theory in the Gaussian 16 …
D\(\beta\) M were optimized at B3LYP-D3 (BJ)/6-311 G (d, p) level theory in the Gaussian 16 …
Synthesis of a Sterically Encumbered Pincer Au (III)− OH Complex
S Engbers, EA Trifonova, KM Hess… - European Journal of …, 2021 - Wiley Online Library
We report the synthesis and crystallographic characterization of a novel Au (III)− OH
complex featuring a N^ N^ N‐pincer ligand. Reactivity studies towards oxygen atom transfer …
complex featuring a N^ N^ N‐pincer ligand. Reactivity studies towards oxygen atom transfer …
Modeling Homo-and Heterogeneous Catalysis with Applications Ranging from Hydrocarbon Activation to the Synthesis of Sustainable Polymers
M Mandal - 2020 - search.proquest.com
The diverse chemical properties of compounds containing metal atoms are inherently highly
tunable. In terms of size, they may be small molecular complexes consisting of only 1 or 2 …
tunable. In terms of size, they may be small molecular complexes consisting of only 1 or 2 …