Crystal and electronic structure of a hexacarbonyldiiron cluster tethered to naphthalene-2-thiolate ligands
The structure of the previously reported complex bis(μ-naphthalene-2-thiolato-κ2S:S)bis(tricarbonyliron)(Fe—Fe), [Fe2(C10H7S)2(CO)6], has been characterized by X-ray diffraction. In the solid state, the dinuclear complex adopts a butterfly-like shape, with an equatorial-axial spatial orientation of the naphthalene groups covalently coupled to the [S2Fe2(CO)6] unit. The asymmetric unit contains three independent [(μ-naphthalene-2-thiolato)2Fe2(CO)6] molecules. These molecules show intermolecular π-π stacking interactions between the naphthalene rings, which was confirmed by Hirshfield surface analysis. The electronic spectrum of the complex recorded in acetonitrile shows a band centered at 350 nm ([epsilon] = 4.6 × 103 M-1 cm-1) and tailing into the visible region. This absorption can be attributed to a π→π* electronic transition within the naphthalene moiety and a metal-based d→d transition.
cluster compound, diiron(II) compound, hydrogenase model, crystal structure, naphthalene-2-thiolate, iron carbonyl, Hirshfield surface analysis, electronic spectrum, electrochemical reduction
Mebi, Charles, Nikolay Gerasimchuk, and Jordan Labrecque. "Crystal and electronic structure of a hexacarbonyldiiron cluster tethered to naphthalene-2-thiolate ligands." Acta Crystallographica Section C: Structural Chemistry 74, no. 2 (2018): 224-228.
Acta Crystallographica Section C: Structural Chemistry