A Metallofullertube of Ce₂@C₁₀₀ with a Carbon Nanotube Segment: Synthesis, Single‐Molecule Conductance and Supramolecular Assembly

Abstract

Abstract Tubular fullerenes can be considered as end‐capped carbon nanotubes with accurate structure, which are promising nanocarbon materials for advanced single‐molecule electronic devices. Herein, we report the synthesis and characterization of a metallofullertube Ce 2 @ D 5 (450)‐C 100 , which has a tubular C 100 cage with a carbon nanotube segment and two fullerene end‐caps. As there are structure correlations between tubular Ce 2 @ D 5 (450)‐C 100 and spherical Ce 2 @ I h ‐C 80 , their structure–property relationship has been compared by means of experimental and theoretical methods. Notably, single‐molecule conductance measurement determined that the conductivity of Ce 2 @ D 5 (450)‐C 100 was up to eight times larger than that of Ce 2 @ I h ‐C 80 . Furthermore, supramolecular assembly of Ce 2 @ D 5 (450)‐C 100 and a [12]CPP nanohoop was investigated, and theoretical calculations revealed that metallofullertube Ce 2 @ D 5 (450)‐C 100 adopted a “standing” configuration in the cavity of [12]CPP. These results demonstrate the special nature of this kind of metallofullertube.