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Title: Steric control of dioxygen activation pathways for Mn II complexes supported by pentadentate, amide-containing ligands

Journal Article · · Dalton Transactions
DOI:https://doi.org/10.1039/C9DT02682G· OSTI ID:1557007
 [1]; ORCiD logo [1];  [1]; ORCiD logo [1]
  1. Department of Chemistry and Center for Environmentally Beneficial Catalysis, University of Kansas, Lawrence, USA
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Steric control of dioxygen activation is demonstrated through O 2 titration and isotopic labeling experiments for two Mn( ii ) complexes.

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0016359
OSTI ID:
1557007
Journal Information:
Dalton Transactions, Journal Name: Dalton Transactions Vol. 48 Journal Issue: 34; ISSN 1477-9226
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English
Citation Metrics:
Cited by: 9 works
Citation information provided by
Web of Science

References (69)

Comprehensive Handbook of Chemical Bond Energies book March 2007
Equatorial Ligand Perturbations Influence the Reactivity of Manganese(IV)-Oxo Complexes journal March 2017
Oxygen activation by mononuclear Mn, Co, and Ni centers in biology and synthetic complexes journal November 2016
Kinetics of Manganese Lipoxygenase with a Catalytic Mononuclear Redox Center journal April 2000
Catalytic Reaction Mechanism of Oxalate Oxidase (Germin). A Hybrid DFT Study journal April 2005
Dioxygen activation by a novel manganese(II) thiolate complex with hydrotris(3,5-diisopropylpyrazol-1-yl)borate ligand journal January 1998
Remarks on the Proper Use of the Broken Symmetry Approach to Magnetic Coupling journal October 1997
An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix journal September 2003
C−H Bond Dissociation Energy of Malononitrile journal February 2010
Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex journal July 2016
Mn-promoted Aerobic Oxidative C–C Bond Cleavage of Aldehydes with Dioxygen Activation: A Simple Synthetic Approach to Formamides journal April 2012
Reaction landscape of a pentadentate N5-ligated MnII complex with O2˙− and H2O2 includes conversion of a peroxomanganese(iii) adduct to a bis(μ-oxo)dimanganese(iii,iv) species journal January 2013
Spectroscopic and Computational Investigations of a Mononuclear Manganese(IV)-Oxo Complex Reveal Electronic Structure Contributions to Reactivity journal November 2016
Structural and Spectroscopic Characterization of a Monomeric Side-On Manganese(IV) Peroxo Complex journal April 2012
Valence bond description of antiferromagnetic coupling in transition metal dimers journal May 1981
C−H Bond Cleavage with Reductants: Re-Investigating the Reactivity of Monomeric Mn III/IV −Oxo Complexes and the Role of Oxo Ligand Basicity journal March 2009
X-ray Absorption and Emission Study of Dioxygen Activation by a Small-Molecule Manganese Complex journal June 2015
A new mixing of Hartree–Fock and local density‐functional theories journal January 1993
Mn IV -Oxo complex of a bis(benzimidazolyl)-containing N5 ligand reveals different reactivity trends for Mn IV -oxo than Fe IV -oxo species journal January 2019
Structure and Reactivity of (μ-Oxo)dimanganese(III,III) and Mononuclear Hydroxomanganese(III) Adducts Supported by Derivatives of an Amide-Containing Pentadentate Ligand journal December 2018
Mechanistic Studies on the Water-Oxidizing Reaction of Homogeneous Manganese-Based Catalysts: Isolation and Characterization of a Suggested Catalytic Intermediate journal April 2011
Relationship between Hydrogen-Atom Transfer Driving Force and Reaction Rates for an Oxomanganese(IV) Adduct journal June 2018
Fully optimized contracted Gaussian basis sets for atoms Li to Kr journal August 1992
Novel Manganese-Catalyzed α-Oxidation of Cyclic β-Keto Esters with Molecular Oxygen journal October 1999
Copper Active Sites in Biology journal January 2014
Generation of a Mn(IV)–Peroxo or Mn(III)–Oxo–Mn(III) Species upon Oxygenation of Mono- and Binuclear Thiolate-Ligated Mn(II) Complexes journal August 2017
Density functional calculations of molecular bond energies journal April 1986
Synthesis and structure of a MnIII(OH) complex generated from dioxygen journal January 1997
Characterization of Metastable Intermediates Formed in the Reaction between a Mn(II) Complex and Dioxygen, Including a Crystallographic Structure of a Binuclear Mn(III)–Peroxo Species journal April 2013
An overlap fitted chain of spheres exchange method journal October 2011
Redox Reactivity of a Mononuclear Manganese-Oxo Complex Binding Calcium Ion and Other Redox-Inactive Metal Ions journal December 2018
Kinetic investigation of the rate-limiting step of manganese- and iron-lipoxygenases journal August 2014
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy journal January 2005
Evidence for a Precursor Complex in CH Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex journal April 2011
Density‐functional thermochemistry. III. The role of exact exchange journal April 1993
Ligand spin polarization and antiferromagnetic coupling in transition metal dimers journal November 1986
Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications journal December 2010
Electron Paramagnetic Resonance Detection of Intermediates in the Enzymatic Cycle of an Extradiol Dioxygenase journal November 2008
Saturation Kinetics in Phenolic O–H Bond Oxidation by a Mononuclear Mn(III)–OH Complex Derived from Dioxygen journal June 2014
pH-Dependent Structures of the Manganese Binding Sites in Oxalate Decarboxylase as Revealed by High-Field Electron Paramagnetic Resonance journal July 2009
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density journal January 1988
Manganese–Oxygen Intermediates in O–O Bond Activation and Hydrogen-Atom Transfer Reactions journal October 2017
Spectroscopic properties and reactivity of a mononuclear oxomanganese(iv) complex journal January 2013
Synthesis and Structural Characterization of a Series of Mn III OR Complexes, Including a Water-Soluble Mn III OH That Promotes Aerobic Hydrogen-Atom Transfer journal October 2013
Electrocatalytic olefin epoxidation using manganese Schiff-base complexes and dioxygen journal March 1990
Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol journal June 2015
Peroxomanganese complexes as an aid to understanding redox-active manganese enzymes journal November 2013
Reaction of the manganese(II) Schiff-base complexes (X-SALPRN)MnII [X = H, 5-Cl, 5-CH3O; SALPRN = 1,3-bis(salicylideneamino)propane] with dioxygen and reactivity of the oxygenated products journal January 1993
Interaction of Manganese with Dioxygen and Its Reduced Derivatives journal May 1994
NMR Studies of a Mn III -hydroxo Adduct Reveal an Equilibrium between Mn III -hydroxo and μ-Oxodimanganese(III,III) Species journal June 2018
Novel Reactivity of the Dioxygen Molecule in the Presence of a Manganese(II) Complex and Reducing Agents journal July 1995
Characterization and Dioxygen Reactivity of a New Series of Coordinatively Unsaturated Thiolate-Ligated Manganese(II) Complexes journal May 2012
Determination of dissolved oxygen in nonaqueous electrochemical solvents journal March 1980
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model journal March 1998
A new and efficient biomimetic system for hydrocarbon oxidation by dioxygen using manganese porphyrins, imidazole, and zinc journal January 1987
The 2-His-1-carboxylate facial triad: a versatile platform for dioxygen activation by mononuclear non-heme iron(II) enzymes journal March 2005
An amphoteric reactivity of a mixed-valent bis(μ-oxo)dimanganese( iii , iv ) complex acting as an electrophile and a nucleophile journal January 2016
Nature of Rate-Limiting Steps in the Soybean Lipoxygenase-1 Reaction journal October 1995
Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins journal December 2017
Catalytic Reduction of Dioxygen to Water with a Monomeric Manganese Complex at Room Temperature journal April 2011
Oxalate Decarboxylase Requires Manganese and Dioxygen for Activity: OVEREXPRESSION AND CHARACTERIZATION OF journal August 2001
Mechanisms in manganese catalysed oxidation of alkenes with H 2 O 2 journal January 2013
Dioxygen Activation by Nonheme Diiron Enzymes: Diverse Dioxygen Adducts, High-Valent Intermediates, and Related Model Complexes journal December 2017
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange journal February 2009
A High-Valent Non-Heme μ-Oxo Manganese(IV) Dimer Generated from a Thiolate-Bound Manganese(II) Complex and Dioxygen journal June 2017
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr journal April 1994
Theoretical Investigations into C–H Bond Activation Reaction by Nonheme Mn IV O Complexes: Multistate Reactivity with No Oxygen Rebound journal September 2012
Structural and Spectroscopic Studies Shed Light on the Mechanism of Oxalate Oxidase journal November 2005
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model journal April 2003

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