Table 2 Hydrogen bond distance between MCD and KTP, extracted from B3LYP/6-31G(d) energy optimized structure.
Inclusion complex | Hydrogen bonding | Distance (Å) |
---|---|---|
Orientation 1 | –COO-H222…..O16-H | 1.813 |
–C-H209…..O24-(CH2)2 | 3.143 | |
Orientation 2 | –COO-H222…..O25-(CH2)2 | 2.960 |
–C-H216…..O28-(CH2)2 | 3.126 |