Table 4.

Relative energies (∆E, kcal/mol), enthalpies (∆H, kcal/mol), entropies (∆S, kcal/mol, at 25°C) and Gibbs energies (∆G, kcal/mol) for all the stationary points relative to the reactants.

Species	∆E	∆H	T∆S	∆G
8a + 2Cu(I)-7	0	0	0	0
1,4-RC	−15.39	−14.79	−0.0175	−14.77
1,4-TS1	−9.92	−10.34	−0.0231	−10.32
1,4-In	−25.11	−25.67	−0.0238	−25.65
1,4-TS2	−11.68	−12.34	−0.1013	−12.24
1,4-P	−57.29	−57.71	−0.1150	−57.59
1,5-RC	−17.65	−16.75	−0.1006	−16.65
1,5-TS1	12.46	12.71	−0.1067	12.82
1,5-In	−21.48	−21.75	−0.0009	−21.75
1,5-TS2	−18.79	−19.45	−0.0094	−19.44
1,5-P	−52.37	−52.78	−0.1249	−52.65