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Novel Neutral Zirconaborane [(Cp2Zr)2B5H11]: An arachno-B3H9 Analogue (Cp = η5‑C5H5)

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Figshare2016-02-14 更新2026-04-29 收录
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https://figshare.com/articles/dataset/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_sup_5_sup_C_sub_5_sub_H_sub_5_sub_/2188840
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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.
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2016-02-14
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