Redox properties of copper oxinate complexes in zeolite matrices

Abstract

Bis(8-hydroxyquinoline)copper(II) (Cu-Qn) complex was encapsulated in various zeolites(NaX, NaY, KL, Na-ZSM-5, Nab, and MCM-41). Redox properties were studied using cyclic voltammetry and correlated with physical properties of various zeolites. The position of HOMO and LUMO level of neat and complex encapsulated in ten and twelve membered ring clusters were calculated using Density Functional Theory(DFT). The HOMO and LUMO level of Cu-Qn increases upon encapsulation in the clusters. Substitution of heteroatom stabilizes the HOMO and LUMO levels compared to pure silicious systems.