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

Kochem, A., Weyhermüller, T., Neese, F., & van Gastel, M. (2015). EPR and Quantum Chemical Investigation of a Bioinspired Hydrogenase Model with a Redox-Active Ligand in the First Coordination Sphere. Organometallics, 34(5), 995-1000. doi:10.1021/acs.organomet.5b00039.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0007-8954-0 Version Permalink: http://hdl.handle.net/21.11116/0000-0007-8955-F
Genre: Journal Article

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 Creators:
Kochem, Amélie1, Author              
Weyhermüller, Thomas1, Author              
Neese, Frank1, Author              
van Gastel, Maurice1, Author              
Affiliations:
1Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, ou_3023886              

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 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.

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Language(s): eng - English
 Dates: 2015-01-152015-02-162015-03-09
 Publication Status: Published in print
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/acs.organomet.5b00039
 Degree: -

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Title: Organometallics
  Abbreviation : Organometallics
Source Genre: Journal
 Creator(s):
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 34 (5) Sequence Number: - Start / End Page: 995 - 1000 Identifier: ISSN: 0276-7333
CoNE: https://pure.mpg.de/cone/journals/resource/954925505259