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>)
journal contribution
posted on 2015-03-09, 00:00 authored by Dipak
Kumar Roy, Bijan Mondal, Anangsha De, Subhankar Panda, Sundargopal GhoshThe
first example of a homometallic neutral zirconaborane, [(Cp<sub>2</sub>Zr)<sub>2</sub>B<sub>5</sub>H<sub>11</sub>], <b>1</b>, has
been prepared through the thermolysis of [Cp<sub>2</sub>Zr(BH<sub>4</sub>)<sub>2</sub>], generated from the fast metathesis reaction
of [Cp<sub>2</sub>ZrCl<sub>2</sub>] and LiBH<sub>4</sub>·thf
with BH<sub>3</sub>·thf. The solid-state structure of <b>1</b> shows an open geometry with a planar B<sub>3</sub> ring. The bonding
between the Zr center and the central B<sub>3</sub> ring was studied
computationally by DFT methods, and based on the combined experimental
and computational results compound <b>1</b> can be defined as
a metal-stabilized <i>arachno</i>-B<sub>3</sub>H<sub>9</sub>. Further, in an attempt to synthesize a hybrid analogue of <b>1</b> by introducing two electron fragments into <i>arachno</i>-[(Cp<sub>2</sub>Zr)(Cp*Ir)B<sub>4</sub>H<sub>10</sub>], <b>2</b>, we have performed the reaction of <b>2</b> with [Ru<sub>3</sub>(CO)<sub>12</sub>]. However, the reaction led to the formation of
a hybrid metallaborane, [(Cp*Ir){Ru<sub>3</sub>(CO)<sub>8</sub>}B<sub>4</sub>H<sub>10</sub>], <b>3</b>.
