Freitag Kerstin, Banh Hung, Gemel Christian, Jerabek Paul, Seidel Rüdiger W, Frenking Gernot, Fischer Roland A
Inorganic Chemistry II-Organometallics and Materials, Ruhr-University Bochum , D-44780 Bochum, Germany.
Inorg Chem. 2015 Jan 5;54(1):352-8. doi: 10.1021/ic502532g. Epub 2014 Dec 17.
The synthesis and characterization of the cationic mixed metal Ga/Zn cluster Zn2(GaCp*)6 (1) is presented. The reaction of [Zn2Cp2] with [Ga2Cp][BAr4(F)] leads to the formation of the novel complex being the first example of a Zn2 core exclusively ligated by metalloid group-13 organyl-ligands. Compound 1 exhibits two different coordination modes: In the solid state, two of the six GaCp* ligands occupy bridging positions, whereas VT (1)H NMR indicates the coexistence of a second isomer in solution featuring six terminal GaCp* ligands. Quantum chemical calculations have been carried out to assign the gallium and zinc positions; the bonding situation in 1 is characterized and the importance of dispersion forces is discussed.
本文介绍了阳离子混合金属镓/锌簇合物Zn2(GaCp*)6(1)的合成与表征。[Zn2Cp2]与[Ga2Cp][BAr4(F)]反应生成了这种新型配合物,它是首个以类金属13族有机配体专门配位的Zn2核心的例子。化合物1表现出两种不同的配位模式:在固态中,六个GaCp配体中的两个占据桥连位置,而变温(1)H NMR表明溶液中存在第二种异构体,其具有六个末端GaCp配体。已进行量子化学计算以确定镓和锌的位置;对1中的键合情况进行了表征,并讨论了色散力的重要性。