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(μ-Di-tert-butyl-silanediolato)bis-[bis-(η5-cyclo-penta-dien-yl)methyl-zirconium].

ABSTRACT: The reaction of t-Bu2Si(OH)2 with two equivalents of Cp2Zr(CH3)2 produces the title t-Bu2SiO2-siloxide bridged dimer, [Zr2(CH3)2(C5H5)4(C8H18O2Si)] or [Cp2Zr(CH3)]2[μ-t-Bu2SiO2] (1), where one methyl group is retained per zirconium atom. The same product is obtained at room temperature even when equimolar ratios of the silanediol and Cp2Zr(CH3)2 are used. Attempts to thermally eliminate methane and produce a bridging methyl-ene complex resulted in decomposition. The crystal structure of 1 displays typical Zr-CH3 and Zr-O distances but the Si-O distance [1.628 (2) Å] and O-Si-O angle [110.86 (15)°] are among the largest observed in this family of compounds suggesting steric crowding between the t-Bu substituents of the silicon atom and the cyclo-penta-dienyl groups. The silicon atom lies on a crystallographic twofold axis and both Cp rings are disordered over two orientations of equal occupancy.

SUBMITTER: Berg DJ 

PROVIDER: S-EPMC6895932 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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(μ-Di-<i>tert</i>-butyl-silanediolato)bis-[bis-(η<sup>5</sup>-cyclo-penta-dien-yl)methyl-zirconium].

Berg David J DJ   Gajecki Leah L   Hill Hunter H   Twamley Brendan B  

Acta crystallographica. Section E, Crystallographic communications 20191108 Pt 12

The reaction of <i>t</i>-Bu<sub>2</sub>Si(OH)<sub>2</sub> with two equivalents of Cp<sub>2</sub>Zr(CH<sub>3</sub>)<sub>2</sub> produces the title <i>t</i>-Bu<sub>2</sub>SiO<sub>2</sub>-siloxide bridged dimer, [Zr<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>(C<sub>5</sub>H<sub>5</sub>)<sub>4</sub>(C<sub>8</sub>H<sub>18</sub>O<sub>2</sub>Si)] or [Cp<sub>2</sub>Zr(CH<sub>3</sub>)]2[μ-<i>t</i>-Bu<sub>2</sub>SiO<sub>2</sub>] (<b>1</b>), where one methyl group is retained per zirconium atom. The same produ  ...[more]

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