Bridging-hydride influence on the electronic structure of an [FeFe] hydrogenase active-site model complex revealed by XAES-DFT. (Q44077352)

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24 February 2020

title

Bridging-hydride influence on the electronic structure of an [FeFe] hydrogenase active-site model complex revealed by XAES-DFT (English)

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24 February 2020

author

Marcetta Y. Darensbourg

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24 February 2020

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24 February 2020

Kajsa G V Sigfridsson

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24 February 2020

Nils Leidel

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24 February 2020

Chung-Hung Hsieh

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24 February 2020

Michael Haumann

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24 February 2020

language of work or name

English

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publication date

1 June 2013

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24 February 2020

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24 February 2020

volume

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24 February 2020

issue

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24 February 2020

page(s)

7539-7554

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Tunneling and dynamics in enzymatic hydride transfer

24 February 2020

cites work

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

The multifarious world of transition metal hydrides

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Hydrogen storage in metal-organic frameworks.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Hydrogenases from methanogenic archaea, nickel, a novel cofactor, and H2 storage

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

The hows and whys of aerobic H2 metabolism

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

How algae produce hydrogen--news from the photosynthetic hydrogenase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Insights into [FeFe]-hydrogenase structure, mechanism, and maturation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Catalytic turnover of [FeFe]-hydrogenase based on single-molecule imaging

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

X-ray crystal structure of the Fe-only hydrogenase (CpI) from Clostridium pasteurianum to 1.8 angstrom resolution

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

A novel FeS cluster in Fe-only hydrogenases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

The active site of the [FeFe]-hydrogenase from Desulfovibrio desulfuricans. II. Redox properties, light sensitivity and CO-ligand exchange as observed by infrared spectroscopy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Spectroelectrochemical characterization of the active site of the [FeFe] hydrogenase HydA1 from Chlamydomonas reinhardtii

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

(14)N HYSCORE investigation of the H-cluster of [FeFe] hydrogenase: evidence for a nitrogen in the dithiol bridge.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

How oxygen attacks [FeFe] hydrogenases from photosynthetic organisms

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

O2 reactions at the six-iron active site (H-cluster) in [FeFe]-hydrogenase

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Regioselectivity of H cluster oxidation

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Importance of the protein framework for catalytic activity of [FeFe]-hydrogenases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

High-yield expression of heterologous [FeFe] hydrogenases in Escherichia coli

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Enzymatic mechanism of Fe-only hydrogenase: density functional study on H-H making/breaking at the diiron cluster with concerted proton and electron transfers

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Computational studies of [NiFe] and [FeFe] hydrogenases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Small molecule mimics of hydrogenases: hydrides and redox

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Structural and functional analogues of the active sites of the [Fe]-, [NiFe]-, and [FeFe]-hydrogenases

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Synthesis of the H-cluster framework of iron-only hydrogenase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Bimetallic carbonyl thiolates as functional models for Fe-only hydrogenases

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Combining acid-base, redox and substrate binding functionalities to give a complete model for the [FeFe]-hydrogenase

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Chemistry and the hydrogenases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Role of the azadithiolate cofactor in models for [FeFe]-hydrogenase: novel structures and catalytic implications

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Catalysis of H(2)/D(2) scrambling and other H/D exchange processes by [Fe]-hydrogenase model complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Evidence for the formation of terminal hydrides by protonation of an asymmetric iron hydrogenase active site mimic

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Steps along the path to dihydrogen activation at [FeFe] hydrogenase structural models: dependence of the core geometry on electrocatalytic proton reduction

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Hydrogen activation by biomimetic diiron dithiolates

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Terminal hydride in [FeFe]-hydrogenase model has lower potential for H2 production than the isomeric bridging hydride

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Hydride-containing models for the active site of the nickel-iron hydrogenases

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Isomerization of the hydride complexes [HFe2(SR)2(PR3)(x)(CO)(6-x)]+ (x = 2, 3, 4) relevant to the active site models for the [FeFe]-hydrogenases

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Preparation, facile deprotonation, and rapid H/D exchange of the mu-hydride diiron model complexes of the [FeFe]-hydrogenase containing a pendant amine in a chelating diphosphine ligand

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Biomimetic model featuring the NH proton and bridging hydride related to a proposed intermediate in enzymatic H(2) production by Fe-only hydrogenase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Activation of alkenes and H2 by [Fe]-H2ase model complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Extending the motif of the [FeFe]-hydrogenase active site models: protonation of Fe2(NR)2(CO)6-xLx species

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Matrix infrared spectra and density functional calculations of transition metal hydrides and dihydrogen complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Coordination chemistry of the HNO ligand with hemes and synthetic coordination complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Favorable Protonation of the (μ-edt)[Fe(2)(PMe(3))(4)(CO)(2)(H-terminal)](+) Hydrogenase Model Complex Over Its Bridging μ-H Counterpart: A Spectroscopic and DFT Study

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: comparisons of density functional theory and experiment

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

High-Resolution X-ray Emission and X-ray Absorption Spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Biological X-ray absorption spectroscopy (BioXAS): a valuable tool for the study of trace elements in the life sciences

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Site-selective X-ray spectroscopy on an asymmetric model complex of the [FeFe] hydrogenase active site.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

High-resolution X-ray spectroscopy of rare events: a different look at local structure and chemistry.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Electronic structure of an [FeFe] hydrogenase model complex in solution revealed by X-ray absorption spectroscopy using narrow-band emission detection.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Site-selective EXAFS in mixed-valence compounds using high-resolution fluorescence detection: a study of iron in Prussian Blue.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Probing valence orbital composition with iron Kbeta X-ray emission spectroscopy

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Prediction of high-valent iron K-edge absorption spectra by time-dependent density functional theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Prediction of iron K-edge absorption spectra using time-dependent density functional theory.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

High-valent [MnFe] and [FeFe] cofactors in ribonucleotide reductases

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

X-ray emission spectroscopy evidences a central carbon in the nitrogenase iron-molybdenum cofactor

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Identification of a single light atom within a multinuclear metal cluster using valence-to-core X-ray emission spectroscopy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

H/D exchange reactions in dinuclear iron thiolates as activity assay models of Fe-H2ase

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Lifetime-broadening-suppressed selective XAFS spectroscopy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Encapsulating [FeFe]-hydrogenase model compounds in peptide hydrogels dramatically modifies stability and photochemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Solution-phase photochemistry of a [FeFe]hydrogenase model compound: evidence of photoinduced isomerisation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Femtosecond to microsecond photochemistry of a [FeFe]hydrogenase enzyme model compound.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

The hydrophilic phosphatriazaadamantane ligand in the development of H2 production electrocatalysts: iron hydrogenase model complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Vibrational spectroscopy: Can density functional theory cope with highly electronegative atoms?

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Dithiomethylether as a ligand in the hydrogenase h-cluster

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Iron hydrogenase active site mimic holding a proton and a hydride

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Directing protonation in [FeFe] hydrogenase active site models by modifications in their second coordination sphere

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Key Hydride Vibrational Modes in [NiFe] Hydrogenase Model Compounds Studied by Resonance Raman Spectroscopy and Density Functional Calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC3DT33042G

21 January 2018

Identifiers

DOI

10.1039/C3DT33042G

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24 February 2020

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23446996%20AND%20SRC:MED&resulttype=core&format=json