THEORETICAL AND EXPERIMENTAL STUDY ON INCLUSION COMPLEXATION BETWEEN GUESTS AND CYCLODEXTRINS:A CRITICAL REVIEW

Abstract

In this review paper, the inclusion complexation between cyclodextrin molecules (CDs) and guests is carefully discussed. According to the importance concept of the non-covalent interactions taking place in the formation of the CD-guest complexes and the fundamental factor which controls the complexation stoichiometry of CD-guest, by comparing some recent experimental and theoretical studies. In this paper, four geometries are proposed; they are used in computational investigation on CD-guest complexation process. Finally, the suitability of computational methods and DFT functionals are distinguished for the computational estimation of non-covalent interaction between CDs and guests.