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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Abstract

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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