Cage-Expansion of Fullerenes,Journal of the American Chemical Society

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Cage-Expansion of Fullerenes
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2021-07-29 , DOI: 10.1021/jacs.1c05778
Sheng Zhang ₁ , Yoshifumi Hashikawa ₁ , Yasujiro Murata ₁

Affiliation

Despite the first proposal on the cage inflation of fullerenes in 1991, the chemical expansion of fullerenes has been still a formidable challenge. Herein, we provide an efficient methodology to expand [60] and [70]fullerene cages by the inclusion of totally C5N unit, giving nitrogen-containing closed structures as C₆₅N and C₇₅N with double fused heptagons. This method consists of two steps commenced with the construction of an opening by the reaction with triazine as a C3N source, followed by the cage reformation using N-phenylmaleimide as a C2 source. We also synthesized endohedral cages, demonstrating that the encapsulated H₂O molecule inside the C₇₅N cage prefers the orientation which maximizes the intramolecular interaction with the carbon wall. Additionally, we revealed the existence of a through-space magnetic dipolar interaction between the encapsulated H₂ molecule and the embedded N atom.

中文翻译：

富勒烯的笼式膨胀

尽管 1991 年首次提出了富勒烯笼式膨胀，但富勒烯的化学膨胀仍然是一项艰巨的挑战。在此，我们提供了一种有效的方法，通过包含完全 C5N 单元来扩展 [60] 和 [70] 富勒烯笼，给出含氮封闭结构，如具有双稠合七边形的C ₆₅ N 和 C ₇₅ N。该方法由两个步骤组成，首先通过与作为 C3N 源的三嗪反应构建开口，然后使用N-苯基马来酰亚胺作为 C2 源进行笼形改造。我们还合成了内嵌笼，证明C ₇₅内部封装的 H ₂ O 分子N笼更喜欢使与碳壁的分子内相互作用最大化的取向。此外，我们揭示了封装的 H ₂分子和嵌入的 N 原子之间存在穿越空间的磁偶极相互作用。

更新日期：2021-08-19

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