title: Mössbauer and computational investigation of a functional [NiFe] hydrogenase model complex.
abstract: Developing biomimetic complexes that model the active site of [NiFe] hydrogenase enzymes in order to catalyze the activation of H2 is a topic of major interest. A functional [NiFe] hydrogenase model complex has recently been described by Ogo et al. (Science, 2013, 339, 682-683). Here, we report a Mössbauer and computational investigation of this model complex. This study affords deeper understanding of the electronic structure, the reactivity and the mechanism of H2 activation by this complex.
authors.affiliation: Max Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D-45470 Mülheim an der Ruhr, Germany. maurice.van-gastel@cec.mpg.de.
authors.forename: A
authors.initials: A
authors.lastname: Kochem
authors.forename: E
authors.initials: E
authors.lastname: Bill
authors.forename: F
authors.initials: F
authors.lastname: Neese
authors.forename: M
authors.initials: M
authors.lastname: van Gastel