Polar and Tropical Regioisomeric Decanuclear Cuprofullerenes

Abstract

Achieving exohedral metallofullerenes (ExMFs) with metal selectively binding at specific spatial positions on the surface of a C60 molecule remains a considerable challenge. In this study, we report the synthesis of two decanuclear, regioisomeric cuprofullerenes with polar and tropical coordination patterns. Complex 1 features 10 CuI atoms coordinated to the C=C bonds of two polar zones, stabilized by Cl− anion and protonated 4-methoxybenzylamine countercation. Complex 2 involves coordination of 10 CuI atoms in the tropical zone, utilizing trifluoroacetate (LF) and 5-methylpicolinate (Lmpic) as auxiliary ligands. Notably, complex 2 forms a typical pcu topology MOF, linking tropical cuprofullerenes through CuII(Lmpic)2 units. Theoretical calculations reveal intricate charge transfer processes that significantly influence electronic properties of these cuprofullerenes.