[FeFe]-Hydrogenase H-Cluster Mimics with Unique Planar μ-(SCH2 )2 ER2 Linkers (E=Ge and Sn). (Q51410470)

5 April 2018

title

[FeFe]-Hydrogenase H-Cluster Mimics with Unique Planar μ-(SCH2 )2 ER2 Linkers (E=Ge and Sn). (English)

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5 April 2018

Hassan Abul-Futouh

1

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Dennis L Lichtenberger

Dennis L Lichtenberger

5

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Helmar Görls

7

Helmar Görls

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5 April 2018

6

Richard S Glass

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5 April 2018

Grzegorz Mlostoń

10

Grzegorz Mloston

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5 April 2018

Wolfgang Weigand

11

Wolfgang Weigand

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5 April 2018

author name string

Laith R Almazahreh

2

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5 April 2018

Takahiro Sakamoto

3

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5 April 2018

Nhu Y T Stessman

4

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5 April 2018

Mohammad El-Khateeb

8

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5 April 2018

Philippe Schollhammer

9

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language of work or name

English

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publication date

9 October 2016

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5 April 2018

Chemistry—A European Journal

published in

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5 April 2018

volume

23

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5 April 2018

issue

2

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5 April 2018

page(s)

346-359

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5 April 2018

Binding of exogenously added carbon monoxide at the active site of the iron-only hydrogenase (CpI) from Clostridium pasteurianum

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

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Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center

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A capable bridging ligand for Fe-only hydrogenase: density functional calculations of a low-energy route for heterolytic cleavage and formation of dihydrogen

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Isolation, observation, and computational modeling of proposed intermediates in catalytic proton reductions with the hydrogenase mimic Fe2(CO)6S2C6H4.

21 January 2018

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Terminal vs bridging hydrides of diiron dithiolates: protonation of Fe2(dithiolate)(CO)2(PMe3)4.

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Hydrogenases: hydrogen-activating enzymes

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Complete activity profile of Clostridium acetobutylicum [FeFe]-hydrogenase and kinetic parameters for endogenous redox partners.

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

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Reactions of [FeFe]-hydrogenase models involving the formation of hydrides related to proton reduction and hydrogen oxidation

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Steric effect of the dithiolato linker on the reduction mechanism of [Fe2(CO)6{μ-(XCH2)2CRR'}] hydrogenase models (X = S, Se).

21 January 2018

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Synthesis of Diiron(I) Dithiolato Carbonyl Complexes

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Unsaturated, mixed-valence diiron dithiolate model for the H(ox) state of the [FeFe] hydrogenase

21 January 2018

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Redox and structural properties of mixed-valence models for the active site of the [FeFe]-hydrogenase: progress and challenges

21 January 2018

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Crystallographic characterization of a fully rotated, basic diiron dithiolate: model for the H(red) state?

21 January 2018

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New Fe(I) -Fe(I) complex featuring a rotated conformation related to the [2 Fe](H) subsite of [Fe-Fe] hydrogenase

21 January 2018

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Hydrogen generation from weak acids: electrochemical and computational studies of a diiron hydrogenase mimic

21 January 2018

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Fluorophenyl-substituted Fe-only hydrogenases active site ADT models: different electrocatalytic process for proton reduction in HOAc and HBF4/Et2O.

21 January 2018

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Visible light-driven electron transfer and hydrogen generation catalyzed by bioinspired [2Fe2S] complexes.

21 January 2018

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First insights into the protonation of dissymetrically disubstituted di-iron azadithiolate models of the [FeFe]H2ases active site

21 January 2018

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Synthetic models for the active site of the [FeFe]-hydrogenase: catalytic proton reduction and the structure of the doubly protonated intermediate

21 January 2018

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Aza- and oxadithiolates are probable proton relays in functional models for the [FeFe]-hydrogenases

21 January 2018

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

21 January 2018

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Synthesis, characterization, and H/D exchange of μ-hydride-containing [FeFe]-hydrogenase subsite models formed by protonation reactions of (μ-TDT)Fe2(CO)4(PMe3)2 (TDT = SCH2SCH2S) with protic acids

21 January 2018

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Models for the active site in [FeFe] hydrogenase with iron-bound ligands derived from bis-, tris-, and tetrakis(mercaptomethyl)silanes

21 January 2018

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Selenium-bridged diiron hexacarbonyl complexes as biomimetic models for the active site of Fe-Fe hydrogenases

21 January 2018

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Interaction of C-Si, C-Sn, and Si-Si sigma-bonds with chalcogen lone pairs

21 January 2018

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Crystallographic and FTIR spectroscopic evidence of changes in Fe coordination upon reduction of the active site of the Fe-only hydrogenase from Desulfovibrio desulfuricans.

21 January 2018

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Molecular mechanics parameters

21 January 2018

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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

21 January 2018

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Coordination sphere flexibility of active-site models for Fe-only hydrogenase: studies in intra- and intermolecular diatomic ligand exchange

21 January 2018

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Toward Consistent Terminology for Cyclohexane Conformers in Introductory Organic Chemistry

21 January 2018

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Cyclohexane isomerization. Unimolecular dynamics of the twist-boat intermediate

21 January 2018

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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

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A diferrous dithiolate as a model of the elusive H(ox)(inact) state of the [FeFe] hydrogenases: an electrochemical and theoretical dissection of its redox chemistry.

21 January 2018

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Equilibrium Acidities of Superacids

21 January 2018

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Photoelectron spectroscopy and electronic structure calculations of d1 vanadocene compounds with chelated dithiolate ligands: implications for pyranopterin Mo/W enzymes

21 January 2018

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Generalized Gradient Approximation Made Simple

21 January 2018

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Effect of the damping function in dispersion corrected density functional theory

21 January 2018

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The Becke fuzzy cells integration scheme in the Amsterdam density functional program suite

21 January 2018

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COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

21 January 2018

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VMD: visual molecular dynamics

21 January 2018

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Processing of X-ray diffraction data collected in oscillation mode

21 January 2018

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21 January 2018

A short history of SHELX

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

21 January 2018

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Iron hydrogenase active site mimic holding a proton and a hydride

21 January 2018

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21 January 2018

Identifiers

DOI

10.1002/CHEM.201603843

1 reference

5 April 2018

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5 April 2018