Sarkar, SK and Chaliha, R and Siddiqui, MM and Banerjee, S and Münch, A and Herbst-Irmer, R and Stalke, D and Jemmis, ED and Roesky, HW (2020) A Neutral Three-Membered 2π Aromatic Disilaborirane and the Unique Conversion into a Four-Membered BSi2N-Ring. In: Angewandte Chemie - International Edition, 59 (51). pp. 23015-23019.
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Abstract
We report the design, synthesis, structure, bonding, and reaction of a neutral 2π aromatic three-membered disilaborirane. The disilaborirane is synthesized by a facile one-pot reductive dehalogenation of amidinato-silylene chloride and dibromoarylborane with potassium graphite. Despite the tetravalent arrangement of atoms around silicon, the three-membered silicon-boron-silicon ring is aromatic, as evidenced by NMR spectroscopy, nucleus independent chemical shift calculations, first-principles electronic structure studies using density functional theory (DFT) and natural bond orbital (NBO) based bonding analysis. Trimethylsilylnitrene, generated in situ, inserts in the Si−Si bond of disilaborirane to obtain a four-membered heterocycle 1-aza-2,3-disila-4-boretidine derivative. Both the heterocycles are fully characterized by X-ray crystallography. © 2020 The Authors. Published by Wiley-VCH GmbH
Item Type: | Journal Article |
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Publication: | Angewandte Chemie - International Edition |
Publisher: | Wiley-VCH Verlag |
Additional Information: | The copyright for this article belongs to The Wiley-VCH Verlag. |
Keywords: | Aromatic compounds; Aromatization; Calculations; Chemical analysis; Chemical bonds; Chemical shift; Chlorine compounds; Crystal atomic structure; Dehalogenation; Density functional theory; Design for testability; Electronic structure; Nuclear magnetic resonance spectroscopy; Potassium chloride; Silicon, Bonding analysis; First principles electronic structure; Heterocycles; Natural bond orbital; Nucleus independent chemical shifts; Reductive dehalogenation; Silicon ring; Silylenes, X ray crystallography |
Department/Centre: | Division of Chemical Sciences > Inorganic & Physical Chemistry Division of Chemical Sciences > Solid State & Structural Chemistry Unit |
Date Deposited: | 09 Jan 2023 09:22 |
Last Modified: | 09 Jan 2023 09:22 |
URI: | https://eprints.iisc.ac.in/id/eprint/78945 |
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