Comparison of the σ and π interaction energies in model complexes 10a and 10b, 17a and 17b, 16a and 16b, and 18a and 18ba.
| Model complex | ΔEorb of L → M | ΔEorb of ‖ M → L | ΔEorb of ⊥ M → L | |
|---|---|---|---|---|
| σ-Donationb | π-Backdonationb | π-Backdonationb | ||
| Rh–Cl | 10a | −32.26 | −21.04 | −22.89 |
| 10b | −31.13 | −18.10 | −21.30 | |
| 17a | −19.91 | −30.00 | −33.38 | |
| 17b | −18.17 | −30.02 | −29.08 | |
| Pt–Me | 16a | −33.74 | −8.62 | −8.58 |
| 16b | −32.84 | −6.42 | −7.11 | |
| 18a | −47.16 | −17.55 | −22.17 | |
| 18b | −45.02 | −22.70 | −18.87 | |
For the corresponding deformation density plots, see Tables S22 and S23.
All energies are given in kcal mol−1.