1. An EarlyâLate Transition Metal Hybrid Analogueof Hexaborane(12).
- Author
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Anju, R. S., Roy, Dipak Kumar, Mondal, Bijan, Ramkumar, V., and Ghosh, Sundargopal
- Subjects
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TRANSITION metals , *BORANES , *PYROLYSIS , *CRYSTAL structure , *ZIRCONIUM compounds , *ADDITION reactions , *THERMOLYSIS , *ELECTRONIC structure - Abstract
Metal assisted borane condensationmethod has been employed forthe preparation of novel metallaborane cluster containing group 4metal. Pyrolysis of [Cp*IrB3H9], 1, with in situ generated zirconium bisborohydrate [Cp2Zr(BH4)2], produced from the fast metathesisreaction of [Cp2ZrCl2] and LiBH4,and excess of BH3·THF yielded arachno-[(Cp2Zr)(Cp*Ir)B4H10], 2, in 56% yield. Compound 2constitutes the first crystallographicstructure determination of hexaborane(12) metal analogue containingzirconium. The observed geometry of 2can be generatedfrom a dodecahedron by removing two vertices and an edge. Anticipatinga straight metal fragment substitution/addition reaction, mild thermolysisof 2with [Fe2(CO)9] was carriedout. However, the reaction led to the formation of known trimetallic[Cp*IrFe2(CO)9] cluster via cluster degradation.In addition, density functional theory (DFT) calculations have beencarried out for 2and other hypothetical earlyâlatecombinations of hexaborane(12) metal analogues to reveal the electronicstructures. [ABSTRACT FROM AUTHOR]
- Published
- 2013
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