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Free-radical reactions of the tris-dioximate clathrochelates: synthesis and X-ray structure of the first cyclohexyl-substituted monoribbed-functionalized macrobicyclic iron(ii) complex |
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| Authors: | A B Burdukov M A Vershinin N V Pervukhina S G Kozlova I V El��tsov Ya Z Voloshin |
| Institution: | 1. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 3 prosp. Lavrent??eva, 630090, Novosibirsk, Russian Federation 2. Novosibirsk State University, 2 ul. Pirogova, Novosibirsk, Russian Federation 3. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 119991, Moscow, Russian Federation |
| Abstract: | Quantum chemical calculations were performed at the DFT level for the boron-capped dichloro-substituted tris-dioximate iron(II) clathrochelate and cyclohexane and 1,4-dioxane radicals. The 1,4-dioxane and cyclohexane radicals are nucleophiles towards the macrobicyclic precursor studied. The reaction of this clathrochelate with cyclohexane in the presence of a free-radical initiator resulted in substitution of a chlorine atom by a cyclohexyl fragment. The compound obtained was characterized by elemental analysis, IR spectroscopy, 1H and 13C{1H} NMR, and single-crystal X-ray diffraction data. |
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