Crystal and Electronic Structure of a Hexacarbonyldiiron Cluster Tethered To Naphthalene-2-Thiolate Ligands
Physical & Earth Sciences
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.
Acta Crystallographica Section C: Structural Chemistry
Mebi, Charles; Gerasimchuk, Nikolay; and Labrecque, Jordan, "Crystal and Electronic Structure of a Hexacarbonyldiiron Cluster Tethered To Naphthalene-2-Thiolate Ligands" (2018). Faculty Publications - Physical & Earth Sciences. 32.
© 2018 International Union of Crystallography.
Gerasimchuk, Nikolay, Labrecque, Jordan, et al. 2018. "Crystal and Electronic Structure of a Hexacarbonyldiiron Cluster Tethered To Naphthalene-2-Thiolate Ligands." Acta Crystallographica Section C: Structural Chemistry. 74(2): 224-228. doi:10.1107/S2053229618000712