Table 3 Electronic features of the alkyl-substituted cyclohex-2-enones predicted by DFT calculations
Substrate | Double bond length | ESP charge |
|---|---|---|
4a | 1.34 Å | -0.003 |
5a | 1.34 Å | -0.174 |
6a | 1.35 Å | 0.350 |
7a | 1.35 Å | 0.404 |
Substrate | Double bond length | ESP charge |
|---|---|---|
4a | 1.34 Å | -0.003 |
5a | 1.34 Å | -0.174 |
6a | 1.35 Å | 0.350 |
7a | 1.35 Å | 0.404 |