Weak bonds between molecular tweezers and their guests.

It is proposed a molecular tweezer, which makes possible to design a scaffold structure, allowing to trap organic molecules, regardless of the size of the guest. Weak carbon-carbon and carbon-hydrogens interactions stabilized the compound. The analysis carried out with the Grimme’s dispersion correction allow to quantify the weak interaction between the molecular tweezer and the guest. These assumptions were confirmed into the framework of quantum theory of atoms in molecules, due to the existence of bond critical points connecting carbon and hydrogen tweezer’s atoms and carbon atom of the guest species. The density of states shows that it is possible to observe that the only contribution near the active regions is made by the guest species. The tweezer molecule is the perfect host for organic molecules, because there is no electronic interaction between them. The electronic properties of the guest species remains unchanged under the molecular tweezer interaction. [ABSTRACT FROM AUTHOR]