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Table 2 Vertical electron affinities and ionization energies for B12H6 and calculated using the 6-311++G(d,p) basis set

From: Aromatic Borozene

  Electron affinity (eV) Ionization energy (eV)
B12H6 B12H6
X3LYP 1.69 (1.80) −2.57 8.52 1.97 (1.80)
UHF-MP2 1.52 (1.71) −2.18 8.72 1.89 (1.71)
  1. The numbers in brackets correspond to the adiabatic values for EA and IE. All values have been obtained from differences in total energies