Free-radical reactions of the tris-dioximate clathrochelates: synthesis and X-ray structure of the first cyclohexyl-substituted monoribbed-functionalized macrobicyclic iron(ii) complex期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Free-radical reactions of the tris-dioximate clathrochelates: synthesis and X-ray structure of the first cyclohexyl-substituted monoribbed-functionalized macrobicyclic iron(ii) complex

Authors:	A. B. Burdukov M. A. Vershinin N. V. Pervukhina S. G. Kozlova I. V. El��tsov Ya. Z. Voloshin

Affiliation:	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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