Crystallographic characterization of Er3N@C2n (2n = 80, 82, 84, 88): the importance of a planar Er3N cluster. Issue 28 (5th July 2019)

• Record Type: Journal Article
• Authors: Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing
• Is Part Of: Nanoscale. Volume 11:Issue 28(2019)
• Page Start: 13415
• Page End: 13422
• Publication Date: 2019-07-05
• Subjects: Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.505
• DOI: 10.1039/c9nr04330f
• Languages: English
• ISSNs: 2040-3364

Abstract

Abstract : The crystallographic structures of Er3 N@ I h (7)-C80, Er3 N@ D 5h (6)-C80, Er3 N@ C 2v (9)-C82, Er3 N@ C s (51365)-C84, and Er3 N@ D 2 (35)-C88 are identified for the first time. Abstract : A series of Er-based nitride clusterfullerenes (NCFs), Er3 N@C80–88, have been successfully synthesized and isolated. In particular, Er3 N@ I h (7)-C80, Er3 N@ D 5h (6)-C80, Er3 N@ C 2v (9)-C82, Er3 N@ C s (51365)-C84, and Er3 N@ D 2 (35)-C88 have been characterized by single-crystal X-ray diffraction (XRD) for the first time. The planar configuration of the inserted Er3 N cluster is identified unambiguously and the Er–N distances increase in accordance with cage expansion to maintain strong metal–cage interactions. Additionally, the electrochemical properties of the Er3 N@C80–88 series are studied by means of cyclic voltammetry. It is found that the first reduction potentials are roughly similar for all compounds under study, while the first oxidation potentials are cathodically shifted along with the increase of the cage size in the Er3 N@C2 n (2 n = 80, 84, 86, 88) series, leading to a decrease in the corresponding electrochemical band gaps. Nevertheless, for Er3 N@ C 2v (9)-C82, a good electron donating ability is manifested by its relatively small first oxidation potential, which results from the relatively higher energy level of the highest occupied molecular orbital. The redox behaviors observed in such Er3 N-based NCFs may promise their great potential applications in donor–acceptor systems.