Ferrocenyl(dimethyl)aluminum dimer [(η⁵-C₅H₅)Fe(η⁵-C₅H₄)AlMe₂]₂

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• 作者：Bernd Wrackmeyer ; Elena V. Klimkina ; Tamara Ackermann ; Wolfgang Milius
• 关键词：Ferrocene ; Aluminum ; NMR ; X-ray ; DFT calculation
• 刊名：Inorganic Chemistry Communications
• 出版年：2007
• 出版时间：July 2007
• 年：2007
• 卷：10
• 期：7
• 页码：743-747
• 全文大小：387 K

文摘

The reaction of ferrocenyllithium (FcLi, 1) with dimethyl or diethylaluminum chloride affords known mixed dimers 2 built from dialkyl(ferrocenyl))aluminium and dialkylaluminum chloride and also, depending on the reaction conditions, the unknown dimers from dialkyl(ferrocenyl)aluminum 3, of which the dimethyl derivative could be isolated in a pure state and characterised by X-ray structural analysis. The ferrocenyl group occupies the bridging position and there is a centre of inversion. The solution-state structures were determined by NMR spectroscopic methods (¹H, ¹³C, ²⁷Al NMR). The gas-phase structure of monomer FcAlH₂ 3(M) was optimised at the B3LYP/6-311 + G(d,p) level of theory.