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. 2021 Oct 22;6(43):29037–29044. doi: 10.1021/acsomega.1c04085

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