Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Structural Characterization of a Series of N5-Ligated Mn IV-Oxo Species

Journal Article · · Chemistry - A European Journal
 [1];  [2];  [3];  [4];  [3];  [2]
  1. Department of Chemistry and Center for Environmentally, Beneficial Catalysis The University of Kansas 1567 Irving Hill Road Lawrence KS 66045 USA; OSTI
  2. Department of Chemistry and Center for Environmentally, Beneficial Catalysis The University of Kansas 1567 Irving Hill Road Lawrence KS 66045 USA
  3. Chemical Physics Department of Chemistry Lund University Box 124 221 00 Lund Sweden
  4. Chemical Physics Department of Chemistry Lund University Box 124 221 00 Lund Sweden; Department of Chemistry School of Advanced Science Vellore Institute of Technology Vellore 632014 Tamil Nadu India
Not provided.
Research Organization:
Univ. of Kansas, Lawrence, KS (United States); Stanford Univ., CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0016359; AC02-76SF00515
OSTI ID:
1802951
Journal Information:
Chemistry - A European Journal, Journal Name: Chemistry - A European Journal Journal Issue: 4 Vol. 26; ISSN 0947-6539
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English

References (66)

X-ray absorption spectroscopy in coordination chemistry journal September 1999
A Two-State Reactivity Model Explains Unusual Kinetic Isotope Effect Patterns in CH Bond Cleavage by Nonheme Oxoiron(IV) Complexes journal January 2009
Cytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics journal November 2010
Evidence for Hydrogen Abstraction from C1 of Taurine by the High-Spin Fe(IV) Intermediate Detected during Oxygen Activation by Taurine:α-Ketoglutarate Dioxygenase (TauD) journal October 2003
Characterization of an Oxo(porphyrinato)manganese(IV) Complex by X-ray Absorption Spectroscopy journal February 1995
Redox Potential and C−H Bond Cleaving Properties of a Nonheme Fe IV ═O Complex in Aqueous Solution journal June 2010
Synthetic Mononuclear Nonheme Iron–Oxygen Intermediates journal July 2015
Structures of Nonheme Oxoiron(IV) Complexes from X-ray Crystallography, NMR Spectroscopy, and DFT Calculations journal June 2005
Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity journal April 2016
Density Functional Theory and Hydrogen Bonds: Are We There Yet? journal February 2015
Equatorial Ligand Perturbations Influence the Reactivity of Manganese(IV)-Oxo Complexes journal March 2017
Kinetics, mechanism, and thermodynamics of aqueous iron(III) chelation and dissociation: influence of carbon and nitrogen substituents in hydroxamic acid ligands journal December 1984
A Balancing Act: Stability versus Reactivity of Mn(O) Complexes journal September 2015
Evidence for a Precursor Complex in CH Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex journal April 2011
Evidence for a Precursor Complex in CH Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex journal April 2011
Transient Intermediates from Mn(salen) with Sterically Hindered Mesityl Groups: Interconversion between Mn IV -Phenolate and Mn III -Phenoxyl Radicals as an Origin for Unique Reactivity journal March 2008
Equatorial Ligand Perturbations Influence the Reactivity of Manganese(IV)-Oxo Complexes journal March 2017
Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions journal July 2015
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr journal April 1994
Fe(II)/α-Ketoglutarate-Dependent Hydroxylases and Related Enzymes journal January 2004
Elucidation of the Fe(iv)=O intermediate in the catalytic cycle of the halogenase SyrB2 journal July 2013
Fully optimized contracted Gaussian basis sets for atoms Li to Kr journal August 1992
A Highly Reactive Mononuclear Non-Heme Manganese(IV)–Oxo Complex That Can Activate the Strong C–H Bonds of Alkanes journal December 2011
Theoretical Investigations into C–H Bond Activation Reaction by Nonheme Mn IV O Complexes: Multistate Reactivity with No Oxygen Rebound journal September 2012
Status of Reactive Non-Heme Metal–Oxygen Intermediates in Chemical and Enzymatic Reactions 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
Spectroscopic and Computational Investigations of a Mononuclear Manganese(IV)-Oxo Complex Reveal Electronic Structure Contributions to Reactivity journal November 2016
Spectroscopic properties and reactivity of a mononuclear oxomanganese(iv) complex journal January 2013
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
  • Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396 https://doi.org/10.1021/jp810292n
journal May 2009
Crystallographic and Spectroscopic Characterization of a Nonheme Fe(IV)&cjs0811;O Complex journal February 2003
Crystallographic Evidence for a Sterically Induced Ferryl Tilt in a Non-Heme Oxoiron(IV) Complex that Makes it a Better Oxidant journal June 2018
Toward the Synthesis of More Reactive S = 2 Non-Heme Oxoiron(IV) Complexes journal July 2015
Charakterisierung eines Oxo(porphyrinato)-mangan(IV)-Komplexes mit Röntgenabsorptionsspektroskopie journal February 1995
Acidity of Strong Acids in Water and Dimethyl Sulfoxide journal May 2016
Structure and Chemistry of Cytochrome P450 journal June 2005
A Two-State Reactivity Model Explains Unusual Kinetic Isotope Effect Patterns in CH Bond Cleavage by Nonheme Oxoiron(IV) Complexes journal January 2009
Two-State Reactivity in Alkane Hydroxylation by Non-Heme Iron−Oxo Complexes journal June 2006
Fityk : a general-purpose peak fitting program journal September 2010
[Mn(tmc)(O2)]+: A Side-On Peroxido Manganese(III) Complex Bearing a Non-Heme Ligand journal January 2007
Saturation Kinetics in Phenolic O–H Bond Oxidation by a Mononuclear Mn(III)–OH Complex Derived from Dioxygen journal June 2014
Spectroscopic and Quantum Chemical Studies on Low-Spin Fe IV O Complexes:  Fe−O Bonding and Its Contributions to Reactivity journal December 2007
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
A Mononuclear Non-Heme Manganese(IV)–Oxo Complex Binding Redox-Inactive Metal Ions journal January 2013
Tuning the reactivity of mononuclear nonheme manganese( iv )-oxo complexes by triflic acid journal January 2015
Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins journal December 2017
Mononuclear nonheme iron( iv )–oxo and manganese( iv )–oxo complexes in oxidation reactions: experimental results prove theoretical prediction journal January 2015
Effect of the damping function in dispersion corrected density functional theory journal March 2011
Heme and Nonheme High-Valent Iron and Manganese Oxo Cores in Biological and Abiological Oxidation Reactions journal December 2018
Theoretical x-ray absorption fine structure standards journal July 1991
X-ray Absorption Spectroscopy book January 2003
Structurally characterized terminal manganese( iv ) oxo tris(alkoxide) complex journal January 2018
Crystallographic Evidence for a Sterically Induced Ferryl Tilt in a Non-Heme Oxoiron(IV) Complex that Makes it a Better Oxidant journal June 2018
Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids journal September 2003
Modeling the cis-Oxo-Labile Binding Site Motif of Non-Heme Iron Oxygenases: Water Exchange and Oxidation Reactivity of a Non-Heme Iron(IV)-Oxo Compound Bearing a Tripodal Tetradentate Ligand journal January 2011
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
Brønsted Acid-Promoted C–H Bond Cleavage via Electron Transfer from Toluene Derivatives to a Protonated Nonheme Iron(IV)-Oxo Complex with No Kinetic Isotope Effect journal March 2013
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT journal June 2005
Nonheme Fe IV O Complexes That Can Oxidize the C−H Bonds of Cyclohexane at Room Temperature journal January 2004
X-Band Electron Paramagnetic Resonance Comparison of Mononuclear Mn IV -oxo and Mn IV -hydroxo Complexes and Quantum Chemical Investigation of Mn IV Zero-Field Splitting journal March 2016
A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry journal July 2006
Structures of Nonheme Oxoiron(IV) Complexes from X-ray Crystallography, NMR Spectroscopy, and DFT Calculations journal June 2005
The ORCA program system: The ORCA program system journal June 2011
Mn K-Edge X-ray Absorption Studies of Oxo- and Hydroxo-manganese(IV) Complexes: Experimental and Theoretical Insights into Pre-Edge Properties journal May 2014
[Mn(tmc)(O2)]+: A Side-On Peroxido Manganese(III) Complex Bearing a Non-Heme Ligand journal January 2007
Oxo- and Hydroxomanganese(IV) Adducts: A Comparative Spectroscopic and Computational Study journal August 2010
Reactivity of an Fe IV -Oxo Complex with Protons and Oxidants journal September 2016

Similar Records

Structural Characterization of a Series of N5‐Ligated Mn IV ‐Oxo Species
Journal Article · Fri Dec 20 00:00:00 UTC 2019 · Chemistry - A European Journal · OSTI ID:1580145

MnIV-Oxo complex of a bis(benzimidazolyl)-containing N5 ligand reveals different reactivity trends for MnIV-oxo than FeIV-oxo species
Journal Article · Wed Mar 27 00:00:00 UTC 2019 · Dalton Transactions · OSTI ID:1612496

Related Subjects