The crystal and molecular structures of the compounds [(η5-C5H5)Fe(CO)2]2(CH2)n, where 0 n = 3 and 4 |
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| Authors: | Lynn Pope Polly Sommerville Michael Laing Karen J Hindson John R Moss |
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| Institution: | Department of Chemistry, University of Natal, Durban South Africa;Department of Chemistry, Rhodes University, Grahamstown South Africa |
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| Abstract: | The crystal stuctures of (η5-C5H5)Fe(CO)2]2(CH2)n, n = 3 and 4, have been determined.(η5-C5H5)Fe(CO)2]2(CH2)3: a = 21.20, b = 10.39, c = 7.88Å, β = 101.6°, U = 1699Å3, C2/c, Z = 4, R = 0.059, 1036 observed data.(η5-C5H5)Fe(CO)2]2(CH2)4: a = 7.63, b = 10.54, c = 21.87Å, β = 96.4°, U= 1748Å3, P21/c, Z = 4, R = 0.051, 1418 observed data.In each compound the iron atoms are joined by simple chains of sigma bonded CH2 groups. Bond lengths are similar in both: mean Fe-CO 1.75, C-O 1.15, Fe C(cp) 2.11, FeCH2 2.08, (cp)CC(cp) 1.41, CH2CH2 1.55Å. The (CH2)3 compound retains a 2-fold axis of symmetry in the crystal. The (CH2)4 compound has no imposed symmetry, but closely approximates centrosymmetry. The effects of molecular symmetry on the IR spectrum between 2100 and 1900 cm-1 are discussed. The13C and1H (270 MHz) NMR spectra in solution are shown to be consistent with the structures found crystallographically. |
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