Luminescent properties and structure of multicomponent naphthalene-β- cyclodextrin complexes. 1. Effect of adding third parties, o-carborane or/and adamantane

Luminescence spectra of water solution of β-cyclodextrin (β-CD) inclusion complexes with naphthalene have been studied in the presence of carcass compounds (CC), adamantane and ocarborane, added in solution as the third parties. It was observed that the CC structure completely determines luminescence type displayed by the three-component complex. Adding adamantane to the solution leads to the disappearance of the spontaneous excimer fluorescence observed usually along with a monomer fluorescence of naphthalene and the appearance of the long lived phosphorescence at room temperature. At the same time, introducing o-carborane in solution of β-CD inclusion complexes with naphthalene results in the dramatic growth of intensity of the excimer band at the expense of lowering intensity of monomer fluorescence. These phenomena were explained using results of the quantum-chemical calculation of the structure and complexation energies at the semi-empirical PM3 and DFT levels of theory.