First-row transition-metal-diborane and -borylene complexes

Sharmila, Dudekula ; Mondal, Bijan ; Ramalakshmi, Rongala ; Kundu, Sangita ; Varghese, Babu ; Ghosh, Sundargopal (2015) First-row transition-metal-diborane and -borylene complexes Chemistry - A European Journal, 21 (13). pp. 5074-5083. ISSN 0947-6539

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A combined experimental and quantum chemical study of Group 7 borane, trimetallic triply bridged borylene and boride complexes has been undertaken. Treatment of [{Cp*CoCl}2] (Cp*=1,2,3,4,5-pentamethylcyclopentadienyl) with LiBH4⋅thf at −78 °C, followed by room-temperature reaction with three equivalents of [Mn2 (CO)10] yielded a manganese hexahydridodiborate compound [{(OC)4Mn}(η6-B2H6){Mn(CO)3}2 (μ-H)] (1) and a triply bridged borylene complex [(μ3-BH)(Cp*Co)2 (μ-CO)(μ-H)2MnH(CO)3] (2). In a similar fashion, [Re2 (CO)10] generated [(μ3-BH)(Cp*Co)2(μ-CO)(μ-H)2ReH(CO)3] (3) and [(μ3-BH)(Cp*Co)2 (μ-CO)2 (μ-H)Co(CO)3] (4) in modest yields. In contrast, [Ru3 (CO)12] under similar reaction conditions yielded a heterometallic semi-interstitial boride cluster [(Cp*Co)(μ-H)3Ru3(CO)9B] (5). The solid-state X-ray structure of compound 1 shows a significantly shorter boron–boron bond length. The detailed spectroscopic data of 1 and the unusual structural and bonding features have been described. All the complexes have been characterized by using 1H, 11B, 13C NMR spectroscopy, mass spectrometry, and X-ray diffraction analysis. The DFT computations were used to shed light on the bonding and electronic structures of these new compounds. The study reveals a dominant B[BOND]H[BOND]Mn, a weak B[BOND]B[BOND]Mn interaction, and an enhanced B[BOND]B bonding in 1.

Item Type:Article
Source:Copyright of this article belongs to John Wiley & Sons, Inc.
Keywords:Boranes; Cobalt; Density Functional Calculations; Manganese; X-ray Diffraction
ID Code:108766
Deposited On:31 Jan 2018 11:54
Last Modified:08 Dec 2022 11:22

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