Fig. 13. (a) A proposed molecular structure for inclusion of two molecules of Cinn into CB[7] from the phenyl side (by Gaussian view 09). (b) Stability energy diagrams of the inclusion complexation of the two Cinn from the phenyl side into CB[7] at DFT level of theory using B3LYP functional with 6-31G(d,p) basis set and CPMC model with solvation.
