Hemicryptophane-assisted electron transfer: a structural and electronic study†
Abstract
Three copper(II)@hemicryptophane complexes with various cavity sizes and shapes, Cu(II)@1, Cu(II)@2 and Cu(II)@3, were synthesized and characterized by near-IR/vis and EPR spectroscopies. The spectroscopic data are consistent with the presence of a trigonal-bipyramidal geometry of the N4Cu·H2O core, in accord with the energy-minimized structures obtained from DFT calculations.