Ge12{Fe(CO)3}8(μ-I)4: a germanium–iron cluster with Ge4, Ge2 and Ge units

Abstract

The germanium–iron cluster Ge₁₂{Fe(CO)₃}₈(μ-I)₄ was prepared by reacting GeI₄ and Fe₂(CO)₉ in [BMIm]Cl/AlCl₃ as ionic liquid (BMIm: 1-butyl-3-methylimidazolium). The cluster contains a Ge₁₂Fe₈ metal core consisting of a central Ge₄ rectangle, two Ge₂ pairs, and four single Ge atoms. These Ge units are interconnected by Fe atoms to a real Ge–Fe cluster. According to DFT calculations, Hund's localization criterion is fulfilled for the whole cluster if we assume three different atomic charges on the Ge₄, Ge₂, and Ge units.