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  5. EPR and Quantum Chemical Investigation of a Bioinspired Hydrogenase Model with a Redox-Active Ligand in the First Coordination Sphere

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Article
English
2015

EPR and Quantum Chemical Investigation of a Bioinspired Hydrogenase Model with a Redox-Active Ligand in the First Coordination Sphere

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English
2015
Organometallics
Vol 34 (5)
DOI: 10.1021/acs.organomet.5b00039

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Frank Neese
Frank Neese

Max Planck

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Amélie Kochem
Thomas Weyhermüller
Frank Neese
+1 more

Abstract

Developing biomimetic complexes that model the active site of hydrogenase metalloenzymes in order to catalyze the activation of H2 is a topic of major interest. Here we report an EPR and computational investigation of a new heteroleptic nickel complex model, with relevance for H2 production, bearing a P2N2 ligand with proton relay in the second coordination sphere and a redox-active ligand in the first coordination sphere.

How to cite this publication

Amélie Kochem, Thomas Weyhermüller, Frank Neese, Maurice van Gastel (2015). EPR and Quantum Chemical Investigation of a Bioinspired Hydrogenase Model with a Redox-Active Ligand in the First Coordination Sphere. Organometallics, 34(5), pp. 995-1000, DOI: 10.1021/acs.organomet.5b00039.

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Publication Details

Type

Article

Year

2015

Authors

4

Datasets

0

Total Files

0

Language

English

Journal

Organometallics

DOI

10.1021/acs.organomet.5b00039

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