Polar and tropical regioisomeric decanuclear cuprofullerenes†

IF 6.1 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Frontiers Pub Date : 2024-10-29 DOI:10.1039/D4QI02261K

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

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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 CC bonds of two polar zones, stabilized by Cl⁻ anions and protonated 4-methoxybenzylamine countercations. Complex 2 involves coordination of 10 Cu^I 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.

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十核铜富勒烯的极性和热带异构体

实现在 C60 分子表面特定空间位置选择性结合金属的外面体金属富勒烯（ExMFs）仍然是一个相当大的挑战。在本研究中，我们报告了两种十核、具有极性和热带配位模式的区域异构铜富勒烯的合成。配合物 1 具有 10 个与两个极区的 C=C 键配位的 CuI 原子，并通过 Cl- 阴离子和质子化的 4-甲氧基苄胺反阳离子稳定。配合物 2 利用三氟乙酸盐（LF）和 5-甲基吡啶甲酸盐（Lmpic）作为辅助配体，在热带区配位 10 个 CuI 原子。值得注意的是，复合物 2 形成了典型的 pcu 拓扑 MOF，通过 CuII(Lmpic)2 单元将热带铜绿素连接起来。理论计算揭示了复杂的电荷转移过程，对这些铜富勒烯的电子特性产生了重大影响。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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