Table 5.
Relative B3LYP/6-31G* energies of the intermediates C for R=Ph and R=TMS.
| Entry | CA | CB | CC | CA | CB | CC |
|---|---|---|---|---|---|---|
| R | TMS | TMS | TMS | Ph | Ph | Ph |
| ΔE [kcal mol−1] | 0 | −2.4 | −2.2 | 0 | −1.4 | −1.5 |
Relative B3LYP/6-31G* energies of the intermediates C for R=Ph and R=TMS.
| Entry | CA | CB | CC | CA | CB | CC |
|---|---|---|---|---|---|---|
| R | TMS | TMS | TMS | Ph | Ph | Ph |
| ΔE [kcal mol−1] | 0 | −2.4 | −2.2 | 0 | −1.4 | −1.5 |