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.
S. F. A. Kettle and V. Tomlinson, J. Chem. Soc. A, 1969, 2002 DOI: 10.1039/J19690002002
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