Table 1.
Lewis Base | G4*-Calculated a | Experimental | Δ(Calc. − Exp.) |
---|---|---|---|
Trimethylamine | 126.4 | 111.3 ± 8.4 b [36,37,38] | 15.1 |
Dimethyl ether | 62.4 | 57.1 ± 0.8 [39] | 5.3 |
Tetrahydrofuran | 72.5 | 70.3 ± 0.8 [40] | 2.2 |
Tetrahydropyran | 69.0 | 64.5 ± 0.8 [40] | 4.5 |
Ethyl acetate | 55.9 | 53.6 ± 2.9 [41] | 2.3 |
Trimethylphosphine | 66.1 | 79.1 [42,43] | −13.0 |
Tetrahydrothiophene | 37.9 | 21.8 ± 1.7 [44] | 16.1 |
a see text and Section 3.2;b at 273 K.