Chemical reactivity driving switchable molecular machines. A case of Bipyridine -Calixarene rotaxane

The driving interlocked mechanisms by the chemical reactivity profiles of molecular machine's stages is undertaken, for the calixare-based rotaxane complexes containing tris(N-phenylureido)-calix[6]arene as wheel and a 4,4'-bipyridinium dication's units as axle; The results clearly indicate the huge chemical reactivity dynamic potential (especially of electronegativity which is ultimately assimilated with the negative of the chemical potential of a system) able to drive either the slipper as well as the deslipper interlocked mechanisms of molecular machines, here for the bipyridine-calixarene rotaxane case, yet with appearing as a structural best (to date) structural explanation of the "activated mobile" character of the molecular machines by simple its inner self-activated potential.