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The Strathprints institutional repository is a digital archive of University of Strathclyde's Open Access research outputs. Strathprints provides access to thousands of Open Access research papers by University of Strathclyde researchers, including by researchers from the Department of Computer & Information Sciences involved in mathematically structured programming, similarity and metric search, computer security, software systems, combinatronics and digital health.

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Structure and bonding of the lithium tetrahydroborate–tetramethylethylenediamine adduct (TMEDA·LiBH4)2, a centrosymmetric dimer containing doubly and triply bridging hydrogen atoms

ARMSTRONG, D R and CLEGG, W and COLQUHOUN, H M and DANIELS, J A and Mulvey, Robert and STEPHENSON, I R and WADE, K (1987) Structure and bonding of the lithium tetrahydroborate–tetramethylethylenediamine adduct (TMEDA·LiBH4)2, a centrosymmetric dimer containing doubly and triply bridging hydrogen atoms. Journal of the Chemical Society, Chemical Communications (8). pp. 630-632. ISSN 0022-4936

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Abstract

The title compound, the first alkali metal tetrahydroborate complex to be structurally characterised, has been shown by an X-ray study to be dimeric in the crystal, with each µ2,η3-BH4 group bonding to two metal atoms through one µ2-hydrogen atom apiece and also through one µ3-hydrogen atom; MO calculations at the 6-31G level on unsolvated LiBH4 and the model adducts (H2O)n·LiBH4(n= 1 or 2) and their dimers, with η2- and η3-BH4 geometries, show how their stabilities reflect the number of Li H contacts, whilst illustrating the inadequacies of LiHB and Li2HB 3- and 4-centre bond schemes for such compounds.