Theoretical design of a dual-motor nanorotator composed of all-carboatomic cyclo[18]carbon and a figure-of-eight carbon hoop

Abstract

A novel supramolecular complex (2C₁₈@OPP) constructed from two kinds of unique nanorings, all-carboatomic cyclo[18]carbon (C₁₈) and figure-of-eight carbon hoop (OPP), has been studied theoretically from the perspective of an extraordinary dual-motor nanorotator. The rotational barrier of C₁₈ in OPP is extremely small at ambient temperature, implying the possibility of the host–guest complex as an ultrafast nanorotator. The rotational characteristics and thermodynamic stability of the nanorotator at different temperatures were then explored. The rotational behaviors of the two C₁₈ rings in OPP are basically independent of each other. The supramolecule investigated in this work is the first example of a dual-motor nanorotator that promises to be an important building block for constructing complicated molecular machines.