Electronic and molecular structure relations in diiron compounds mimicking the [FeFe]-hydrogenase active site studied by X-ray spectroscopy and quantum chemistry (Q50107356)

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scientific article published on 14 September 2017

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English	Electronic and molecular structure relations in diiron compounds mimicking the [FeFe]-hydrogenase active site studied by X-ray spectroscopy and quantum chemistry	scientific article published on 14 September 2017

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scholarly article

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Europe PubMed Central

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25 February 2018

http://europepmc.org/abstract/MED/28905949

Electronic and molecular structure relations in diiron compounds mimicking the [FeFe]-hydrogenase active site studied by X-ray spectroscopy and quantum chemistry (English)

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PubMed publication ID

25 February 2018

http://europepmc.org/abstract/MED/28905949

molecular geometry

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quantum chemistry

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X-ray spectroscopy

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Frédéric Gloaguen

11

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13 June 2020

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13 June 2020

Michael Karnahl

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13 June 2020

Ulf-Peter Apfel

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13 June 2020

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Ramona Kositzki

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13 June 2020

Stefan Mebs

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13 June 2020

Nils Leidel

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13 June 2020

Lennart Schwartz

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Florian Wittkamp

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13 June 2020

Daniel Daunke

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13 June 2020

Andreas Grohmann

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13 June 2020

Sascha Ott

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13 June 2020

Michael Haumann

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13 June 2020

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14 September 2017

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25 February 2018

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Dalton Transactions

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13 June 2020

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13 June 2020

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13 June 2020

12544-12557

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13 June 2020

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

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[FeFe]-hydrogenase oxygen inactivation is initiated at the H cluster 2Fe subcluster

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Identification of a Catalytic Iron-Hydride at the H-Cluster of [FeFe]-Hydrogenase

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DFT dissection of the reduction step in H2 catalytic production by [FeFe]-hydrogenase-inspired models: can the bridging hydride become more reactive than the terminal isomer?

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21 January 2018

Hydride binding to the active site of [FeFe]-hydrogenase.

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21 January 2018

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

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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

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21 January 2018

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

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21 January 2018

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

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21 January 2018

Facilitated hydride binding in an Fe-Fe hydrogenase active-site biomimic revealed by X-ray absorption spectroscopy and DFT calculations.

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21 January 2018

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

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21 January 2018

Diiron azadithiolates as models for the [FeFe]-hydrogenase active site and paradigm for the role of the second coordination sphere

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21 January 2018

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

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21 January 2018

Reversible electrocatalytic production and oxidation of hydrogen at low overpotentials by a functional hydrogenase mimic.

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21 January 2018

Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.

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Proton-Coupled Electron Transfer: Moving Together and Charging Forward

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Facile synthesis and functionality-dependent electrochemistry of Fe-only hydrogenase mimics

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Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex

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

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Insights into the geometric and electronic structure of transition metal centers from valence-to-core X-ray emission spectroscopy

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An edge with XAS.

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

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Borane-protected cyanides as surrogates of H-bonded cyanides in [FeFe]-hydrogenase active site models

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1 reference

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1 reference

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1 reference

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The Cambridge Structural Database

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The hydrogen economy in the 21st century: a sustainable development scenario

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21 January 2018

Inaccessibility of the μ-hydride species in [FeFe] hydrogenases

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21 January 2018

Iron hydrogenase active site mimic holding a proton and a hydride

1 reference

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21 January 2018

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21 January 2018

Identifiers

10.1039/C7DT02720F

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28905949%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28905949%20AND%20SRC:MED&resulttype=core&format=json

13 June 2020

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