Table 3. Reaction 3 Enthalpies (ΔH°), Entropies (ΔS°), and Free Energies (ΔG°) at 298.15 K for Al:N Complexes (upper table section) and Al:O Complexes (lower table section) Computed at the G4(MP2) Level of Theory.

	monomer formation			bis complex formation			dimer formation
ligand	ΔH°298.15 (kcal/mol)	ΔS°298.15 (cal/(mol·K))	ΔG°298.15 (kcal/mol)	ΔH°298.15 (kcal/mol)	ΔS°298.15 (cal/(mol·K))	ΔG°298.15 (kcal/mol)	ΔH°298.15 (kcal/mol)	ΔS°298.15 (cal/(mol·K))	ΔG°298.15 (kcal/mol)
Al:N Complexes
NH3	−27.1	−30.9	−17.9	−37.4	−62.3	−18.8
NH2Me	−30.8	−32.7	−21.0	−44.2	−69.8	−23.4
NHMe2	−32.8	−33.9	−22.6	−48.1	−73.2	−26.3
NMe3	−33.6	−36.0	−22.9	−49.9	−75.0	−27.6	−76.7	−105.5	−45.2
NH2Et	−31.2	−32.5	−21.5	−42.9	−67.8	−22.7
NHEt2	−32.5	−34.8	−22.1	−45.9	−73.4	−24.0
NMe2Et	−33.9	−36.9	−22.9	−50.5	−78.4	−27.1	−77.3	−111.4	−44.1
NEt3	−26.7	−41.5	−14.3	−35.7	−83.8	−10.7	−62.9	−115.9	−28.3
pyridine	−30.3	−30.1	−21.3	−42.3	−65.7	−22.7
pyrazine	−27.1	−28.4	−18.6	−39.3	−62.2	−21.0
TEDA	−34.8	−35.7	−24.2	−52.2	−75.2	−29.8	−79.0	−106.4	−47.2
quinuclidine	−35.6	−32.4	−25.9	−52.6	−75.0	−30.2	−79.8	−105.2	−48.4
hexamine	−33.8	−31.9	−24.2	−52.1	−67.9	−31.8	−78.0	−103.9	−47.0
Al:O Complexes
OH2	−18.1	−25.7	−10.5	−25.6	−60.5	−7.5
OHMe	−22.1	−30.2	−13.1	−31.7	−66.2	−11.9
OMe2	−23.7	−30.2	−14.7	−34.0	−65.6	−14.5	−60.6	−97.6	−31.5
OHEt	−23.0	−30.3	−14.0	−19.2	−21.6	−12.7
OEt2	−24.3	−32.2	−14.7	−33.3	−71.0	−12.1	−60.3	−102.4	−30.0
OMeEt	−24.6	−30.8	−15.4	−34.2	−66.5	−14.3
dioxane	−24.2	−30.4	−15.1	−35.4	−67.2	−15.4
THF	−26.2	−30.7	−17.1	−37.0	−66.6	−17.1	−64.3	−101.6	−34.0