A Metallofullertube of Ce 2 @C 100 with a Carbon Nanotube Segment: Synthesis, Single-Molecule Conductance and Supramolecular Assembly.

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.