Abstract

The properties of CoFe²O⁴@Calix [8] Core-Shell as a novel catalysthasbeen investigatedto compare with well-known catalyst“Fe³O⁴@Silica”. It has been shown that CoFe²O⁴ magnetite particle can be use as important catalyst inside the calix ring.In our previous papersgood resultshave been yielded and exhibited about the BnNn ring properties and CoFe²O⁴@BnNn. In present work it has been shown there is anon-covalent attractionbetween CoFe²O⁴and calix [8] coated molecules. The Physical-chemistry properties such asenergy densities,potential energy densities,electron densities, ELF, LOL,eta index, elasticity ofelectron density and ECPforCoFe²O⁴@calix[8] shell have been calculated and simulated in related reactions for those groupsfunctionalized.

Keywords:CoFe²O⁴; Nano-particles; Electron density; calix [8]; Silica; SiO2