Table 3.
Entry | Reactiona | Energy |
1 | [KA'] + [CH4] → [(CH4)'] | −11.9 (∆H°) |
2 | [KA'] + HSiMe3 → [(HSiMe3)KA'] | −30.0 (∆H°) |
3 | [CsA'] + CH4 → [(CH4)CsA'] | −3.9 (∆H°) |
4 | [CsA'] + HSiMe3 → [(HSiMe3)CsA'] | −23.6 (∆H°) |
aThe def2-TZVP basis set was used on all atoms.