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Hexagonal Planar [B6H6] within a [B6H12] Borate Complex: Structure and Bonding of [(Cp*Ti)2(μ-ɳ6 : ɳ6-B6H6)(μ-H)6]

Kar, S and Bairagi, S and Haridas, A and Joshi, G and Jemmis, ED and Ghosh, S (2022) Hexagonal Planar [B6H6] within a [B6H12] Borate Complex: Structure and Bonding of [(Cp*Ti)2(μ-ɳ6 : ɳ6-B6H6)(μ-H)6]. In: Angewandte Chemie - International Edition .

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Official URL: https://doi.org/10.1002/anie.202208293


Isolation of planar [B6H6] is a long-awaited goal in boron chemistry. Several attempts in the past to stabilize [B6H6] were unsuccessful due to the domination of polyhedral geometries. Herein, we report the synthesis of a triple-decker sandwich complex of titanium [(Cp*Ti)2(μ-η6 : η6-B6H6)(μ-H)6] (1), which features the first-ever experimentally achieved nearly planar six-membered [B6H6] ring, albeit within a [B6H12] borate. The small deviation from planarity is a direct consequence of the predicted structural pattern of the middle ring in 24 Valence Electron Count (VEC) triple-decker complexes. The large ring size of [B6H6] in 1 brings the metal–metal distance into the bonding range. However, significant electron delocalization from the M−M bonding orbital to the bridging hydrogen and B−B skeleton in the middle decreases its bond strength.

Item Type: Journal Article
Publication: Angewandte Chemie - International Edition
Publisher: John Wiley and Sons Inc
Additional Information: The copyright for this article belongs to the John Wiley and Sons Inc.
Keywords: Chemical bonds; Titanium, Borane; Borate complexes; Boron chemistry; Complexes structure; Hexagonal rings; Planar; Polyhedral geometries; Sandwich complexes; Sandwich compound; Titania, Boron compounds
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 23 Aug 2022 05:41
Last Modified: 23 Aug 2022 05:41
URI: https://eprints.iisc.ac.in/id/eprint/76173

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