B3LYP/6-31G(d) dipole moment (in debye) and GEDT (in e), in the gas phase and solvents, of the TSs involved in the 32CA reactions of phosphorinium-3-olates 1a and 1b with MMA.
| Gas phase | THF | EtOH | ||||
|---|---|---|---|---|---|---|
| GEDT (e) | Dipole moment (debye) | GEDT (e) | Dipole moment (debye) | GEDT (e) | Dipole moment (debye) | |
| TS6n-H | 0.01 | 5.891 | 0.01 | 8.025 | 0.01 | 8.519 |
| TS6x-H | 0.00 | 4.560 | 0.00 | 5.901 | 0.00 | 6.165 |
| TS6n-Me | 0.05 | 6.500 | 0.05 | 8.916 | 0.06 | 9.474 |
| TS6x-Me | 0.02 | 4.334 | 0.02 | 5.603 | 0.02 | 5.860 |
| TS7n-H | 0.01 | 4.824 | 0.01 | 6.991 | 0.01 | 7.519 |
| TS7x-H | 0.02 | 3.637 | 0.02 | 5.140 | 0.01 | 5.509 |
| TS7n-Me | 0.02 | 5.584 | 0.02 | 7.948 | 0.04 | 8.514 |
| TS7x-Me | 0.06 | 4.249 | 0.06 | 5.992 | 0.06 | 6.420 |