On the coordination chemistry of corannulene, the smallest “buckybowl” |
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| Authors: | Michael W. Stoddart Michael C. Baird Hartmut L. Schmider |
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| Affiliation: | a Department of Chemistry, Queen’s University, 90 Bader Lane, Kingston, Ont., Canada K7L 3N6
b High Performance Computing Virtual Laboratory, Queen’s University, Kingston, Ont., Canada K7L 3N6 |
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| Abstract: | A variety of methods, conventional and non-conventional, are used in attempts to prepare the compounds (η6-corannulene)M(CO)3 (M = Cr, Mo, W), all unsuccessful. Conventional methods are also utilized in attempts to prepare the compound [CpFe(η6-corannulene)]PF6, but these result in mixtures of cationic CpFe(arene) complexes containing partially hydrogenated corannulene; similar results have been reported for other polyaromatic hydrocarbons. DFT calculations on the compound (η6-corannulene)Cr(CO)3 suggest that the (η6-corannulene)-Cr linkage is only a few kcal/mol weaker than the corresponding bond in (η6-benzene)Cr(CO)3, implying that failures in syntheses arise from kinetic, not thermodynamic problems. |
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| Keywords: | Corannulene Chromium Molybdenum Tungsten Iron Arene complexes |
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