Novel Neutral Zirconaborane [(Cp<sub>2</sub>Zr)<sub>2</sub>B<sub>5</sub>H<sub>11</sub>]: An <i>arachno</i>-B<sub>3</sub>H<sub>9</sub> Analogue (Cp = η<sup>5</sup>‑C<sub>5</sub>H<sub>5</sub>)
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The first example of a homometallic neutral zirconaborane, [(Cp2Zr)2B5H11], 1, has been prepared through the thermolysis of [Cp2Zr(BH4)2], generated from the fast metathesis reaction of [Cp2ZrCl2] and LiBH4·thf with BH3·thf. The solid-state structure of 1 shows an open geometry with a planar B3 ring. The bonding between the Zr center and the central B3 ring was studied computationally by DFT methods, and based on the combined experimental and computational results compound 1 can be defined as a metal-stabilized arachno-B3H9. Further, in an attempt to synthesize a hybrid analogue of 1 by introducing two electron fragments into arachno-[(Cp2Zr)(Cp*Ir)B4H10], 2, we have performed the reaction of 2 with [Ru3(CO)12]. However, the reaction led to the formation of a hybrid metallaborane, [(Cp*Ir){Ru3(CO)8}B4H10], 3.
