Table 2. Surface map values for the σ-holes of 3Ch .
| Entry | Compound | C(benzim)—Ch1 a | C(benzim)—Ch2 a | CH3—Ch1 a | CH3—Ch2 a | C(core)—H b | Maximum |
|---|---|---|---|---|---|---|---|
| 1 | 3Te | 152.4 | 153.3 | 147.8 | 147.2 | 145.2 | – |
| 2 | 3Se | 146.6 | 144.7 | 145.9 | 145.6 | 146.9 c | 147.9 |
| 3 | 3S | 141.0 | 144.2 | 144.5 | 144.9 c | 146.6 c | 149.1 |
Notes: (a) surface map values in kcal mol−1 in the elongation of the respective bonds, (b) the H atom at the 2-position of the central benzene core and (c) approximate values due to the unclear definition of the σ-holes.