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Cross-cluster transition-metal bonding in oblato-nido dimetallaboranes unveiled by topological analysis

Abstract : The bonding situation for the oblato-nido dimetallaboranes (CpV)2B5H11 and ( Cp ∗ T ) 2 B 5 H 5 + x , where T = Ta, Cr, Mo, W, Re and Cp∗=C5Me5, was analyzed using the corresponding model series with Cp∗ replaced by the cyclopentadienyl C5Me5. The application of different bonding indicators revealed that both through-space and through-bond (via boron atoms of the ring) interactions account for a substantial metal-metal bond
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Submitted on : Wednesday, November 25, 2015 - 3:05:06 PM
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Benoît Boucher, Jean-François Halet, Miroslav Kohout. Cross-cluster transition-metal bonding in oblato-nido dimetallaboranes unveiled by topological analysis. Computational and Theoretical Chemistry, Elsevier, 2015, 1068, pp.134-141. ⟨10.1016/j.comptc.2015.06.029⟩. ⟨hal-01174900⟩

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