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

A novel supramolecular complex (2C@OPP) constructed from two kinds of unique nanorings, all-carboatomic cyclo[18]carbon (C) and figure-of-eight carbon hoop (OPP), has been studied theoretically from the perspective of an extraordinary dual-motor nanorotator. The rotational barrier of C 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 C 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.