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Synthesis and crystallographic characterization of [2,2-bis-(η5-penta-methyl-cyclo-penta-dien-yl)-3,4-bis(tri-methyl-sil-yl)-2-zircona-furan-5-one-κO5]triisobutyl-aluminium.


ABSTRACT: The crystal structure of the title zwitterionic zirconocene complex containing a furan-one unit, [AlZr(C10H15)2(C4H9)3(C9H18O2Si2)], is reported. On reacting a zircona-furan-one with two equivalents of HAl(i-Bu)2, disproportionation of the Lewis acid results in the formation of a triiso-butyl-aluminium fragment, Al(i-Bu)3, which coordinates to the exocyclic carbonyl O atom of the zircona-furan-one ring. Single-crystal X-ray diffraction reveals that the zircona-furan-one ring remains intact with coordination of the aluminium to the exocyclic O atom. One of the i-butyl groups is disordered over two sets of sites, with an occupancy ratio of 0.731 (3):0.269 (3).

SUBMITTER: Burlakov VV 

PROVIDER: S-EPMC5946991 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

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Synthesis and crystallographic characterization of [2,2-bis-(η<sup>5</sup>-penta-methyl-cyclo-penta-dien-yl)-3,4-bis(tri-methyl-sil-yl)-2-zircona-furan-5-one-κ<i>O</i><sup>5</sup>]triisobutyl-aluminium.

Burlakov Vladimir V VV   Bogdanov Vyacheslav S VS   Arndt Perdita P   Spannenberg Anke A   Rosenthal Uwe U   Beweries Torsten T   Shur Vladimir B VB  

Acta crystallographica. Section E, Crystallographic communications 20180327 Pt 4


The crystal structure of the title zwitterionic zirconocene complex containing a furan-one unit, [AlZr(C<sub>10</sub>H<sub>15</sub>)<sub>2</sub>(C<sub>4</sub>H<sub>9</sub>)<sub>3</sub>(C<sub>9</sub>H<sub>18</sub>O<sub>2</sub>Si<sub>2</sub>)], is reported. On reacting a zircona-furan-one with two equivalents of HAl(<i>i</i>-Bu)<sub>2</sub>, disproportionation of the Lewis acid results in the formation of a triiso-butyl-aluminium fragment, Al(<i>i</i>-Bu)<sub>3</sub>, which coordinates to the exoc  ...[more]

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