Synthesis of long-sought C66 with exohedral stabilization

Cong-Li Gao; Xiang Li; Yuan-Zhi Tan; Xin-Zhou Wu; Qianyan Zhang; Su-Yuan Xie; Rong-Bin Huang

doi:10.1002/anie.201402625

Synthesis of long-sought C66 with exohedral stabilization

Angew Chem Int Ed Engl. 2014 Jul 21;53(30):7853-5. doi: 10.1002/anie.201402625. Epub 2014 May 14.

Authors

Cong-Li Gao¹, Xiang Li, Yuan-Zhi Tan, Xin-Zhou Wu, Qianyan Zhang, Su-Yuan Xie, Rong-Bin Huang

Affiliation

¹ State Key Laboratory for Physical Chemistry of Solid Surfaces; Collaborative Innovation Center of Chemistry for Energy Materials; Department of Chemistry, College of Chemistry & Chemical Engineering, Xiamen University, Xiamen 361005 (China).

PMID: 24827119
DOI: 10.1002/anie.201402625

Abstract

Previously reported fused-pentagon fullerenes stabilized by exohedral derivatization do not share the same cage with those stabilized by endohedral encapsulation. Herein we report the crystallographic identification of (#4348)C66Cl10, which has the same cage as that of previously reported Sc2@C66. According to the geometrical data of (#4348)C66Cl10, both strain relief (at the fused pentagons) and local aromaticity (on the remaining sp(2)-hybrided carbon framework) contribute to the exohedral stabilization of this long-sought 66 carbon atom cage.

Keywords: X-ray diffraction; fullerenes; isolated pentagon rule; liquid chromatography; strained molecules.