Crystal and electronic structure of a hexacarbonyldiiron cluster tethered to naphthalene‐2‐thiolate ligands

摘要

The structure of the previously reported complex bis(μ‐naphthalene‐2‐thiolato‐κ 2 S : S )bis(tricarbonyliron)( Fe — Fe ), [Fe 2 (C 10 H 7 S) 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 [S 2 Fe 2 (CO) 6 ] unit. The asymmetric unit contains three independent [(μ‐naphthalene‐2‐thiolato) 2 Fe 2 (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 (? = 4.6 × 10 3 ? 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.