Synthese und Röntgenstrukturanalyse von [Fe(η6-C6H4{1,3-(CH3)2})(η5 -C5(C6H5)5]+ [FeCl4]- / Synthesis and X-Ray Structure Analysis of [Fe(η6-C6H4{1 ,3 -(CH3)2})(η5-C5(C6H5)5]+ [FeCl4]-

Abstract

Fe[C₅(C₆H₅)₅](CO)₂Br (1) reacts with m-xylene at 80°C followed by hydrolysis with diluted HCl in the presence of air, to give [Fe(η⁶-C₆H₄{1,3-(CH₃)2})(775-C₅(C₆H₅)₅)]⁺[FeCl₄]^- (3). The ¹H, ¹³CNMR and mass spectra as well as the single crystal X-ray diffraction analysis confirm the proposed sandwich cation structure. 3 crystallizes in the space group P 2₁/n with a = 984,0(1), b = 2201,0(7), c = 1684,9(2) pm, β = 91,94(1)° and V = 3647(1) x 10^-30m³. The final refinement resulted in R = 0,054 for 2982 observed reflections with F₀ ≥4σ (F₀)