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

Abstract

Steric control of dioxygen activation is demonstrated through O 2 titration and isotopic labeling experiments for two Mn( ii ) complexes.

Authors:
 [1]; ORCiD logo [1];  [1]; ORCiD logo [1]
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  1. Department of Chemistry and Center for Environmentally Beneficial Catalysis, University of Kansas, Lawrence, USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1557007
Grant/Contract Number:  
SC0016359
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Dalton Transactions
Additional Journal Information:
Journal Name: Dalton Transactions Journal Volume: 48 Journal Issue: 34; Journal ID: ISSN 1477-9226
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Parham, Joshua D., Wijeratne, Gayan B., Mayfield, Jaycee R., and Jackson, Timothy A. Steric control of dioxygen activation pathways for Mn II complexes supported by pentadentate, amide-containing ligands. United Kingdom: N. p., 2019. Web. doi:10.1039/C9DT02682G.
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Parham, Joshua D., Wijeratne, Gayan B., Mayfield, Jaycee R., & Jackson, Timothy A. Steric control of dioxygen activation pathways for Mn II complexes supported by pentadentate, amide-containing ligands. United Kingdom. https://doi.org/10.1039/C9DT02682G
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Parham, Joshua D., Wijeratne, Gayan B., Mayfield, Jaycee R., and Jackson, Timothy A. Tue . "Steric control of dioxygen activation pathways for Mn II complexes supported by pentadentate, amide-containing ligands". United Kingdom. https://doi.org/10.1039/C9DT02682G.
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@article{osti_1557007,
title = {Steric control of dioxygen activation pathways for Mn II complexes supported by pentadentate, amide-containing ligands},
author = {Parham, Joshua D. and Wijeratne, Gayan B. and Mayfield, Jaycee R. and Jackson, Timothy A.},
abstractNote = {Steric control of dioxygen activation is demonstrated through O 2 titration and isotopic labeling experiments for two Mn( ii ) complexes.},
doi = {10.1039/C9DT02682G},
journal = {Dalton Transactions},
number = 34,
volume = 48,
place = {United Kingdom},
year = {2019},
month = {8}
}
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https://doi.org/10.1039/C9DT02682G
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Works referenced in this record:

Equatorial Ligand Perturbations Influence the Reactivity of Manganese(IV)-Oxo Complexes
journal, March 2017

  • Massie, Allyssa A.; Denler, Melissa C.; Cardoso, Luísa Thiara
  • Angewandte Chemie International Edition, Vol. 56, Issue 15
  • DOI: 10.1002/anie.201612309

Oxygen activation by mononuclear Mn, Co, and Ni centers in biology and synthetic complexes
journal, November 2016

  • Fiedler, Adam T.; Fischer, Anne A.
  • JBIC Journal of Biological Inorganic Chemistry, Vol. 22, Issue 2-3
  • DOI: 10.1007/s00775-016-1402-7

Kinetics of Manganese Lipoxygenase with a Catalytic Mononuclear Redox Center
journal, April 2000

  • Su, Chao; Sahlin, Margareta; Oliw, Ernst H.
  • Journal of Biological Chemistry, Vol. 275, Issue 25
  • DOI: 10.1074/jbc.M001408200

Catalytic Reaction Mechanism of Oxalate Oxidase (Germin). A Hybrid DFT Study
journal, April 2005

  • Borowski, Tomasz; Bassan, Arianna; Richards, Nigel G. J.
  • Journal of Chemical Theory and Computation, Vol. 1, Issue 4
  • DOI: 10.1021/ct050041r

Dioxygen activation by a novel manganese(II) thiolate complex with hydrotris(3,5-diisopropylpyrazol-1-yl)borate ligand
journal, January 1998

  • Komatsuzaki, Hidehito; Nagasu, Yuichi; Suzuki, Kantaro
  • Journal of the Chemical Society, Dalton Transactions, Issue 4
  • DOI: 10.1039/a708210j

Remarks on the Proper Use of the Broken Symmetry Approach to Magnetic Coupling
journal, October 1997

  • Caballol, R.; Castell, O.; Illas, F.
  • The Journal of Physical Chemistry A, Vol. 101, Issue 42
  • DOI: 10.1021/jp9711757

An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix
journal, September 2003

  • Neese, Frank
  • Journal of Computational Chemistry, Vol. 24, Issue 14
  • DOI: 10.1002/jcc.10318

C−H Bond Dissociation Energy of Malononitrile
journal, February 2010

  • Goebbert, Daniel J.; Velarde, Luis; Khuseynov, Dmitry
  • The Journal of Physical Chemistry Letters, Vol. 1, Issue 4
  • DOI: 10.1021/jz900379t

Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex
journal, July 2016

Spectroscopic and Computational Investigations of a Mononuclear Manganese(IV)-Oxo Complex Reveal Electronic Structure Contributions to Reactivity
journal, November 2016

  • Leto, Domenick F.; Massie, Allyssa A.; Rice, Derek B.
  • Journal of the American Chemical Society, Vol. 138, Issue 47
  • DOI: 10.1021/jacs.6b08661

Structural and Spectroscopic Characterization of a Monomeric Side-On Manganese(IV) Peroxo Complex
journal, April 2012

  • Lee, Chien-Ming; Chuo, Chi-He; Chen, Ching-Hui
  • Angewandte Chemie International Edition, Vol. 51, Issue 22
  • DOI: 10.1002/anie.201201735

Valence bond description of antiferromagnetic coupling in transition metal dimers
journal, May 1981

  • Noodleman, Louis
  • The Journal of Chemical Physics, Vol. 74, Issue 10
  • DOI: 10.1063/1.440939

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

  • Parsell, Trenton H.; Yang, Meng-Yin; Borovik, A. S.
  • Journal of the American Chemical Society, Vol. 131, Issue 8
  • DOI: 10.1021/ja8100825

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

  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 2
  • DOI: 10.1063/1.464304

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

  • Denler, Melissa C.; Massie, Allyssa A.; Singh, Reena
  • Dalton Transactions, Vol. 48, Issue 15
  • DOI: 10.1039/C9DT00308H

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

  • Schäfer, Ansgar; Horn, Hans; Ahlrichs, Reinhart
  • The Journal of Chemical Physics, Vol. 97, Issue 4
  • DOI: 10.1063/1.463096

Novel Manganese-Catalyzed α-Oxidation of Cyclic β-Keto Esters with Molecular Oxygen
journal, October 1999

  • Christoffers, Jens
  • The Journal of Organic Chemistry, Vol. 64, Issue 20
  • DOI: 10.1021/jo9909094

Copper Active Sites in Biology
journal, January 2014

  • Solomon, Edward I.; Heppner, David E.; Johnston, Esther M.
  • Chemical Reviews, Vol. 114, Issue 7
  • DOI: 10.1021/cr400327t

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

  • Becke, A. D.
  • The Journal of Chemical Physics, Vol. 84, Issue 8
  • DOI: 10.1063/1.450025

Synthesis and structure of a MnIII(OH) complex generated from dioxygen
journal, January 1997

  • Shirin, Zahida; S. Borovik, A.; G. Young Jr., Victor
  • Chemical Communications, Issue 20
  • DOI: 10.1039/a703395h

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

  • Coggins, Michael K.; Sun, Xianru; Kwak, Yeonju
  • Journal of the American Chemical Society, Vol. 135, Issue 15
  • DOI: 10.1021/ja311166u

An overlap fitted chain of spheres exchange method
journal, October 2011

  • Izsák, Róbert; Neese, Frank
  • The Journal of Chemical Physics, Vol. 135, Issue 14
  • DOI: 10.1063/1.3646921

Redox Reactivity of a Mononuclear Manganese-Oxo Complex Binding Calcium Ion and Other Redox-Inactive Metal Ions
journal, December 2018

  • Sankaralingam, Muniyandi; Lee, Yong-Min; Pineda-Galvan, Yuliana
  • Journal of the American Chemical Society, Vol. 141, Issue 3
  • DOI: 10.1021/jacs.8b11492

Kinetic investigation of the rate-limiting step of manganese- and iron-lipoxygenases
journal, August 2014

  • Wennman, Anneli; Karkehabadi, Saeid; Oliw, Ernst H.
  • Archives of Biochemistry and Biophysics, Vol. 555-556
  • DOI: 10.1016/j.abb.2014.05.014

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

  • Weigend, Florian; Ahlrichs, Reinhart
  • Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
  • DOI: 10.1039/b508541a

Evidence for a Precursor Complex in CH Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex
journal, April 2011

  • Garcia-Bosch, Isaac; Company, Anna; Cady, Clyde W.
  • Angewandte Chemie International Edition, Vol. 50, Issue 25
  • DOI: 10.1002/anie.201100907

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913

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

  • Warren, Jeffrey J.; Tronic, Tristan A.; Mayer, James M.
  • Chemical Reviews, Vol. 110, Issue 12
  • DOI: 10.1021/cr100085k

Electron Paramagnetic Resonance Detection of Intermediates in the Enzymatic Cycle of an Extradiol Dioxygenase
journal, November 2008

  • Gunderson, William A.; Zatsman, Anna I.; Emerson, Joseph P.
  • Journal of the American Chemical Society, Vol. 130, Issue 44
  • DOI: 10.1021/ja8052255

Saturation Kinetics in Phenolic O–H Bond Oxidation by a Mononuclear Mn(III)–OH Complex Derived from Dioxygen
journal, June 2014

  • Wijeratne, Gayan B.; Corzine, Briana; Day, Victor W.
  • Inorganic Chemistry, Vol. 53, Issue 14
  • DOI: 10.1021/ic500943k

pH-Dependent Structures of the Manganese Binding Sites in Oxalate Decarboxylase as Revealed by High-Field Electron Paramagnetic Resonance
journal, July 2009

  • Tabares, Leandro C.; Gätjens, Jessica; Hureau, Christelle
  • The Journal of Physical Chemistry B, Vol. 113, Issue 26
  • DOI: 10.1021/jp9021807

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

  • Rice, Derek B.; Massie, Allyssa A.; Jackson, Timothy A.
  • Accounts of Chemical Research, Vol. 50, Issue 11
  • DOI: 10.1021/acs.accounts.7b00343

Spectroscopic properties and reactivity of a mononuclear oxomanganese(iv) complex
journal, January 2013

  • Leto, Domenick F.; Ingram, Rena; Day, Victor W.
  • Chemical Communications, Vol. 49, Issue 47
  • DOI: 10.1039/c3cc00244f

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

  • Coggins, Michael K.; Brines, Lisa M.; Kovacs, Julie A.
  • Inorganic Chemistry, Vol. 52, Issue 21
  • DOI: 10.1021/ic401234t

Electrocatalytic olefin epoxidation using manganese Schiff-base complexes and dioxygen
journal, March 1990

  • Horwitz, Colin P.; Creager, Stephen E.; Murray, Royce W.
  • Inorganic Chemistry, Vol. 29, Issue 5
  • DOI: 10.1021/ic00330a021

Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol
journal, June 2015

  • Gennari, Marcello; Brazzolotto, Deborah; Pécaut, Jacques
  • Journal of the American Chemical Society, Vol. 137, Issue 26
  • DOI: 10.1021/jacs.5b04917

Peroxomanganese complexes as an aid to understanding redox-active manganese enzymes
journal, November 2013

  • Leto, Domenick F.; Jackson, Timothy A.
  • JBIC Journal of Biological Inorganic Chemistry, Vol. 19, Issue 1
  • DOI: 10.1007/s00775-013-1067-4

Interaction of Manganese with Dioxygen and Its Reduced Derivatives
journal, May 1994

  • Pecoraro, Vincent L.; Baldwin, Michael J.; Gelasco, Andrew
  • Chemical Reviews, Vol. 94, Issue 3
  • DOI: 10.1021/cr00027a012

Density-functional approximation for the correlation energy of the inhomogeneous electron gas
journal, June 1986

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

  • Nishida, Yuzo; Tanaka, Noriko; Yamazaki, Akira
  • Inorganic Chemistry, Vol. 34, Issue 14
  • DOI: 10.1021/ic00118a008

Characterization and Dioxygen Reactivity of a New Series of Coordinatively Unsaturated Thiolate-Ligated Manganese(II) Complexes
journal, May 2012

  • Coggins, Michael K.; Toledo, Santiago; Shaffer, Erika
  • Inorganic Chemistry, Vol. 51, Issue 12
  • DOI: 10.1021/ic300192q

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

  • Barone, Vincenzo; Cossi, Maurizio
  • The Journal of Physical Chemistry A, Vol. 102, Issue 11
  • DOI: 10.1021/jp9716997

A new and efficient biomimetic system for hydrocarbon oxidation by dioxygen using manganese porphyrins, imidazole, and zinc
journal, January 1987

  • Battioni, Pierrette; Bartoli, Jean Fran�ois; Leduc, Philippe
  • Journal of the Chemical Society, Chemical Communications, Issue 10
  • DOI: 10.1039/c39870000791

The 2-His-1-carboxylate facial triad: a versatile platform for dioxygen activation by mononuclear non-heme iron(II) enzymes
journal, March 2005

  • Koehntop, Kevin D.; Emerson, Joseph P.; Que, Lawrence
  • JBIC Journal of Biological Inorganic Chemistry, Vol. 10, Issue 2
  • DOI: 10.1007/s00775-005-0624-x

An amphoteric reactivity of a mixed-valent bis(μ-oxo)dimanganese( iii , iv ) complex acting as an electrophile and a nucleophile
journal, January 2016

  • Sankaralingam, Muniyandi; Jeon, So Hyun; Lee, Yong-Min
  • Dalton Transactions, Vol. 45, Issue 1
  • DOI: 10.1039/C5DT04292E

Nature of Rate-Limiting Steps in the Soybean Lipoxygenase-1 Reaction
journal, October 1995

  • Glickman, Michael H.; Klinman, Judith P.
  • Biochemistry, Vol. 34, Issue 43
  • DOI: 10.1021/bi00043a013

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

  • Shook, Ryan L.; Peterson, Sonja M.; Greaves, John
  • Journal of the American Chemical Society, Vol. 133, Issue 15
  • DOI: 10.1021/ja106564a

Oxalate Decarboxylase Requires Manganese and Dioxygen for Activity: OVEREXPRESSION AND CHARACTERIZATION OF
journal, August 2001

  • Tanner, Adam; Bowater, Laura; Fairhurst, Shirley A.
  • Journal of Biological Chemistry, Vol. 276, Issue 47
  • DOI: 10.1074/jbc.M107202200

Mechanisms in manganese catalysed oxidation of alkenes with H 2 O 2
journal, January 2013

  • Saisaha, Pattama; de Boer, Johannes W.; Browne, Wesley R.
  • Chem. Soc. Rev., Vol. 42, Issue 5
  • DOI: 10.1039/C2CS35443H

Dioxygen Activation by Nonheme Diiron Enzymes: Diverse Dioxygen Adducts, High-Valent Intermediates, and Related Model Complexes
journal, December 2017

A High-Valent Non-Heme μ-Oxo Manganese(IV) Dimer Generated from a Thiolate-Bound Manganese(II) Complex and Dioxygen
journal, June 2017

  • Brazzolotto, Deborah; Cantú Reinhard, Fabián G.; Smith-Jones, Julian
  • Angewandte Chemie International Edition, Vol. 56, Issue 28
  • DOI: 10.1002/anie.201703215

Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
journal, April 1994

  • Schäfer, Ansgar; Huber, Christian; Ahlrichs, Reinhart
  • The Journal of Chemical Physics, Vol. 100, Issue 8
  • DOI: 10.1063/1.467146

Theoretical Investigations into C–H Bond Activation Reaction by Nonheme Mn IV O Complexes: Multistate Reactivity with No Oxygen Rebound
journal, September 2012

  • Cho, Kyung-Bin; Shaik, Sason; Nam, Wonwoo
  • The Journal of Physical Chemistry Letters, Vol. 3, Issue 19
  • DOI: 10.1021/jz301241z

Structural and Spectroscopic Studies Shed Light on the Mechanism of Oxalate Oxidase
journal, November 2005

  • Opaleye, Olaniyi; Rose, Ruth-Sarah; Whittaker, Mei M.
  • Journal of Biological Chemistry, Vol. 281, Issue 10
  • DOI: 10.1074/jbc.M510256200

Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model
journal, April 2003

  • Cossi, Maurizio; Rega, Nadia; Scalmani, Giovanni
  • Journal of Computational Chemistry, Vol. 24, Issue 6
  • DOI: 10.1002/jcc.10189
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