Axial ligand effects on the geometric and electronic structures of nonheme oxoiron(IV) complexes (Q36952383)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18712873%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

title

Axial ligand effects on the geometric and electronic structures of nonheme oxoiron(IV) complexes (English)

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12 January 2020

4

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Wonwoo Nam

10

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author name string

Timothy A Jackson

1

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12 January 2020

Jan-Uwe Rohde

2

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Mi Sook Seo

3

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12 January 2020

Raymond DeHont

5

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12 January 2020

Audria Stubna

6

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Takehiro Ohta

7

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Teizo Kitagawa

8

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Eckard Münck

9

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12 January 2020

Lawrence Que

11

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12 January 2020

language of work or name

English

0 references

publication date

20 August 2008

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Journal of the American Chemical Society

12 January 2020

published in

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volume

130

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issue

37

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page(s)

12394-12407

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Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity

12 January 2020

cites work

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9 September 2017

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New example of a non-heme mononuclear iron(IV) oxo complex. Spectroscopic data and oxidation activity

9 September 2017

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9 September 2017

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Spectroscopic and computational study of a non-heme iron [Fe-NO]7 system: exploring the geometric and electronic structures of the nitrosyl adduct of iron superoxide dismutase

9 September 2017

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An FeIV=O complex of a tetradentate tripodal nonheme ligand

9 September 2017

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Heme-Containing Oxygenases

9 September 2017

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Geometric and electronic structure/function correlations in non-heme iron enzymes

9 September 2017

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Generalized Gradient Approximation Made Simple

9 September 2017

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

9 September 2017

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Density-functional approximation for the correlation energy of the inhomogeneous electron gas

9 September 2017

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A graphics program for the analysis and display of molecular dynamics trajectories

9 September 2017

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Reversible formation of iodosylbenzene-iron porphyrin intermediates in the reaction of oxoiron(IV) porphyrin pi-cation radicals and iodobenzene

27 June 2018

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(TAML)FeIV O complex in aqueous solution: synthesis and spectroscopic and computational characterization

4 September 2018

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A two-state reactivity rationale for counterintuitive axial ligand effects on the C-H activation reactivity of nonheme FeIV=O oxidants

4 September 2018

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Spectroscopic evidence for a high-spin Br-Fe(IV)-oxo intermediate in the alpha-ketoglutarate-dependent halogenase CytC3 from Streptomyces

4 September 2018

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Spectroscopic and computational evaluation of the structure of the high-spin Fe(IV)-oxo intermediates in taurine: alpha-ketoglutarate dioxygenase from Escherichia coli and its His99Ala ligand variant.

4 September 2018

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Octahedral non-heme oxo and non-oxo Fe(IV) complexes: an experimental/theoretical comparison.

4 September 2018

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Nonheme oxoiron(IV) complexes of tris(2-pyridylmethyl)amine with cis-monoanionic ligands.

4 September 2018

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Application of Badger's rule to heme and non-heme iron-oxygen bonds: an examination of ferryl protonation states.

4 September 2018

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Axial ligand substituted nonheme FeIV=O complexes: observation of near-UV LMCT bands and Fe=O Raman vibrations.

4 September 2018

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Octahedral non-heme non-oxo Fe(IV) species stabilized by a redox-innocent N-methylated cyclam-acetate ligand

4 September 2018

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High-valent nonheme iron. Two distinct iron(IV) species derived from a common iron(II) precursor

4 September 2018

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Toward identification of the compound I reactive intermediate in cytochrome P450 chemistry: a QM/MM study of its EPR and Mössbauer parameters

4 September 2018

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Axial coordination of carboxylate activates the non-heme FeIV=O unit

4 September 2018

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Comparison of FeIV=O heme and non-heme species: electronic structures, bonding, and reactivities

4 September 2018

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EXAFS spectroscopic evidence for an Fe=O unit in the Fe(IV) intermediate observed during oxygen activation by taurine:alpha-ketoglutarate dioxygenase

4 September 2018

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Oxoiron(IV) in chloroperoxidase compound II is basic: implications for P450 chemistry

4 September 2018

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Spectroscopic and quantum chemical characterization of the electronic structure and bonding in a non-heme FeIV[double bond]O complex

4 September 2018

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Direct detection of oxygen intermediates in the non-heme Fe enzyme taurine/alpha-ketoglutarate dioxygenase.

4 September 2018

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Nonheme FeIVO complexes that can oxidize the C-H bonds of cyclohexane at room temperature.

4 September 2018

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Evidence for hydrogen abstraction from C1 of taurine by the high-spin Fe(IV) intermediate detected during oxygen activation by taurine:alpha-ketoglutarate dioxygenase (TauD).

4 September 2018

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The first direct characterization of a high-valent iron intermediate in the reaction of an alpha-ketoglutarate-dependent dioxygenase: a high-spin FeIV complex in taurine/alpha-ketoglutarate dioxygenase (TauD) from Escherichia coli

4 September 2018

1 reference

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Two interconverting Fe(IV) intermediates in aliphatic chlorination by the halogenase CytC3

4 September 2018

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Chemical and Spectroscopic Evidence for an FeV-Oxo Complex

4 December 2018

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Theoretical spectroscopy of model-nonheme [Fe(IV)OL5]2+ complexes in their lowest triplet and quintet states using multireference ab initio and density functional theory methods

4 December 2018

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Structures of Nonheme Oxoiron(IV) Complexes from X-ray Crystallography, NMR Spectroscopy, and DFT Calculations

4 December 2018

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Crystallographic and Spectroscopic Characterization of a Nonheme Fe(IV)&cjs0811;O Complex

4 December 2018

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Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes

4 December 2018

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12 December 2020

Aqueous FeIV==O: spectroscopic identification and oxo-group exchange

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12 December 2020

Dioxygen Activation by Enzymes Containing Binuclear Non-Heme Iron Clusters

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12 December 2020

Generation of oxoiron (IV) tetramesitylporphyrin pi-cation radical complexes by m-CPBA oxidation of ferric tetramesitylporphyrin derivatives in butyronitrile at - 78 degrees C. Evidence for the formation of six-coordinate oxoiron (IV) tetramesitylpo

1 reference

12 December 2020

X-ray spectroscopy of the iron site in soybean lipoxygenase-1: changes in coordination upon oxidation or addition of methanol

1 reference

12 December 2020

X-ray absorption spectroscopic studies of the Fe(II) active site of catechol 2,3-dioxygenase. Implications for the extradiol cleavage mechanism

1 reference

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Structural insights into nonheme alkylperoxoiron(III) and oxoiron(IV) intermediates by X-ray absorption spectroscopy

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A thiolate-ligated nonheme oxoiron(IV) complex relevant to cytochrome P450

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Visualization of solvation structures in liquid mixtures

1 reference

12 December 2020

Mononuclear (Nitrido)iron(V) and (Oxo)iron(IV) Complexes via Photolysis of [(cyclam-acetato)FeIII(N3)]+and Ozonolysis of [(cyclam-acetato)FeIII(O3SCF3)]+in Water/Acetone Mixtures‡

1 reference

12 December 2020

A tosylimido analogue of a nonheme oxoiron(IV) complex

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12 December 2020

Identifiers

DOI

10.1021/JA8022576

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18712873%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18712873%20AND%20SRC:MED&resulttype=core&format=json

12 January 2020

PubMed publication ID

18712873

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18712873%20AND%20SRC:MED&resulttype=core&format=json