Molecule-ion interaction and its effect on electrostatic interaction in the system of copper chloride and...

The present work was devoted to an experimental investigation of the molecule-ion interaction between copper chloride (CuCl(2)) and β-cyclodextrin (CD) and its effect on the electrostatic interaction between Cu(2+) and Cl(-) ions. Our results gave an explicit description of the mutual effect between the interactions. First, the molecular arrangement and surface feature of β-CD experienced a fundamental structural change after interaction with Cu(2+) and Cl(-) ions, which was ascribed to a good separation of Cu(2+) from Cl(-) ions in β-CD matrix. Second, arguments based on electronic structural analysis provided a direct indication of the change in charge density distributions of Cu(2+) and Cl(-) ions in the presence of β-CD. Third, the actual occurrence of a second signal in the course of water release at a higher temperature suggested that the Cu(2+) ions were trapped in the form of hydrates in the crystal interstice of β-CD molecules. Fourth, comparison of the mass spectra indicated that the thermal decomposition of β-CD in the presence of CuCl(2) produced a series of interesting molecular ions: C(3)H(2)OH(+), C(4)H(3)OH(+), C(5)H(4)OH(+), and C(7)H(6)OH(+). We consider that this study is helpful in providing a new approach to the evaluation of the extent of the mutual effect between an inorganic salt and an organic molecule.