Table 2.
furan | regioisomer | ΔE‡ | ΔEdist‡ | ΔEint‡ |
---|---|---|---|---|
syn | 5.4 | 11.3 | −5.9 | |
anti | 6.3 | 14.6 | −8.3 | |
syn | 1.9 | 13.3 | −11.3 | |
anti | 7.8 | 15.6 | −7.9 | |
syn | 4.6 | 12.1 | −7.4 | |
anti | 3.9 | 12.3 | −8.4 | |
syn | 4.4b | 15.7 | −11.3 | |
anti | 4.7 | 10.4 | −5.7 |
Electronic energies in kcal/mol.
ΔE‡ predicts syn, but ΔH‡ and ΔG‡ favor anti.