Synthesis, structure, and characterization of a novel heterocyclic organosilicon-quinone adduct†
Abstract
A novel heterocyclic organosilicon compound (2) was synthesized via the reaction of [PhC(NtBu)2]SiCl with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ). The structure was confirmed through 1H, 13C, and 29Si NMR; IR spectroscopy; elemental analysis; and single crystal X-ray diffraction analysis. The Si(1)–O(1)–Ph–O(2)–Si(2)–O(3)–Ph–O(4) ring exhibits near planarity. The surface interactions of compound 2 were predicted using Hirshfeld surface analysis. Molecular electrostatic potential showed the charge density on the molecular surface. In addition, the Fukui function calculated the reactivity at different sites in compound 2.
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