Table 3. Calculated Energy Differences (in kcal/mol, B3LYP-D3(BJ)/def2-TZVP) of the HOMOs and LUMOs for Al/G15-Rea FLPs and THF^a.

system	energy difference |FLP (HOMO) – THF (LUMO)|	energy difference |THF (HOMO) – FLP (LUMO)|
Al/N-Rea + THF	108.1	136.6
Al/P-Rea + THF	135.9	148.5
Al/As-Rea + THF	137.6	149.2
Al/Sb-Rea + THF	133.7	146.5
Al/Bi-Rea + THF	128.4	153.9

^aAlso see Figure 8.