Author: Sun, Jing-Xuan; Zou, Ting-Ting; Zhang, Yi-Chun; Liu, Yu-Li; Dang, Li; Zhan, Shun-Ze; Cai, Hong; Li, Dan

Source: Inorganic Chemistry Frontiers, 2024, 11, 8324-8330.

DOI: 10.1039/d4qi02261k

Abstract:

Achieving exohedral metallofullerenes (ExMFs) with metal atoms 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 Cu^I atoms coordinated to the C=C bonds of two polar zones, stabilized by Cl^- anions and protonated 4-methoxybenzylamine countercations. Complex 2 involves coordination of 10 CuI atoms in the tropical zone, utilizing trifluoroacetate (L_F) and 5-methylpicolinate (L_mpic) as auxiliary ligands. Notably, complex 2 forms a typical pcu topology MOF, linking tropical cuprofullerenes through Cu^II(L_mpic)₂ units. Theoretical calculations reveal intricate charge transfer processes that significantly influence the electronic properties of these cuprofullerenes.