Stabilization of diborane(4) by transition metal fragments and a novel metal to pi Dewar-Chatt-Duncanson model of back donation

Reddy, Hari Krishna K and Jemmis, Eluvathingal D (2013) Stabilization of diborane(4) by transition metal fragments and a novel metal to pi Dewar-Chatt-Duncanson model of back donation. In: DALTON TRANSACTIONS, 42 (29). pp. 10633-10639.

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Abstract

The feasibility of using transition metal fragments to stabilize B2H4 in planar configuration by donating 2 electrons to the boron moiety is investigated. Building upon the existing theoretical and experimental data and aided by the isolobal analogy, the model transition metal complexes Cr(CO)(4)B2H4 (6), Mn(CO)-CpB2H4 (7), Fe(CO)(3)B2H4 (8) and CoCpB2H4 (9) are chosen to illustrate this unique bonding feature bond strengthening with pi-back donation. Other possible types of complexes with B2H4 and the metal fragment are also explored and the energies are compared. One of the low energy isomers wherein the planar B2H4 interacts with the metal fragment in an in-plane fashion represents a unique case study for the Dewar-Chatt-Duncanson model. In this complex the back-donation from the metal fills the p bonding orbital between the two boron atoms thus forming a B=B double bond.

Item Type:	Journal Article
Publication:	DALTON TRANSACTIONS
Publisher:	ROYAL SOC CHEMISTRY
Additional Information:	Copyright for this article belongs to ROYAL SOC CHEMISTRY, ENGLAND.
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	10 Sep 2013 05:30
Last Modified:	10 Sep 2013 05:30
URI:	http://eprints.iisc.ac.in/id/eprint/47084

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