Abstract
Abstract Lipscomb et al. designed the low-energy deltahedral isomers of borane dianions BnHn2− for n ranging from 13 to 24. We evaluated the topological resonance energies (TREs) of these dianions by applying the Kettle–Tomlinson (KT) bonding model to them. It was then found that except for B18H182− (D6d) the TRE per BH unit is highly correlative with the PRDDO binding energy per BH unit. This indicates that the thermodynamic stability of deltahedral borane dianions is determined primarily by aromaticity. B18H182− (D6d) has a very small TRE per BH unit, strongly reflecting its small HOMO–LUMO energy separation. Thus, the KT model is useful for describing electronic characteristics of large deltahedral borane dianions.
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