Wolf Silke, Klopper Wim, Feldmann Claus
Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Engesserstrasse 15, D-76131 Karlsruhe, Germany.
Chem Commun (Camb). 2018 Jan 31;54(10):1217-1220. doi: 10.1039/c7cc08091c.
The germanium-iron cluster Ge{Fe(CO)}(μ-I) was prepared by reacting GeI and Fe(CO) in [BMIm]Cl/AlCl as ionic liquid (BMIm: 1-butyl-3-methylimidazolium). The cluster contains a GeFe metal core consisting of a central Ge rectangle, two Ge 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 Ge, Ge, and Ge units.
通过在离子液体[BMIm]Cl/AlCl（BMIm：1-丁基-3-甲基咪唑鎓）中使GeI与Fe(CO)反应制备了锗铁簇合物Ge{Fe(CO)}(μ-I)。该簇合物包含一个由中心锗矩形、两对锗原子和四个单个锗原子组成的GeFe金属核。这些锗单元通过铁原子相互连接形成一个真正的Ge-Fe簇。根据密度泛函理论（DFT）计算，如果我们假设在Ge、Ge和Ge单元上有三种不同的原子电荷，则整个簇满足洪德定域准则。
