The electronic structure of the boron hydrides. Part I. Cage molecules
- 1 January 1969
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc. A
- p. 2002-2006
- https://doi.org/10.1039/j19690002002
Abstract
The electronic structure of the boron hydrides is frequently described in terms of ‘three-centred bonds’. We use these bonds as basis functions in a Hückel-type MO description of the bonding in boron cage polyhedra. It is found that basis sets composed of three- and two-centre bonding orbitals lead to very similar MO descriptions, which are also in agreement with literature data.Keywords
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