Table 3. Interaction Energy (Eint, kcal/mol) in Complexes.
complexes | n = 1 | n = 2 | n = 3 |
---|---|---|---|
Cspn-F···C | –0.80 | –1.40 | –1.67 |
Cspn-F···Si | –0.97 | –2.27 | –3.20 |
Cspn-F···Ge | –1.02 | –2.53 | –3.45 |
Cspn-Cl···C | –1.25 | –1.61 | –1.56 |
Cspn-Cl···Si | –1.69 | –2.61 | –3.05 |
Cspn-Cl···Ge | –1.86 | –2.88 | –3.24 |
Cspn-Br···C | –1.35 | –1.60 | –1.56 |
Cspn-Br···Si | –1.79 | –2.26 | –3.01 |
Cspn-Br···Ge | –1.98 | –2.90 | –3.17 |
Cspn-I···C | –1.38 | –1.60 | –1.53 |
Cspn-I···Si | –1.86 | –2.57 | –2.87 |
Cspn-I···Ge | –2.10 | –2.87 | –3.04 |