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

Abstract

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.

Department(s)

Chemistry and Biochemistry

Document Type

Article

DOI

https://doi.org/10.1107/s2053229618000712

Keywords

cluster compound, diiron(II) compound, hydrogenase model, crystal structure, naphthalene-2-thiol­ate, iron carbon­yl, Hirshfield surface analysis, electronic spectrum, electrochemical reduction

Publication Date

2018

Journal Title

Acta Crystallographica Section C: Structural Chemistry

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