Chemically Induced Mismatch of Rings and Stations in [3]Rotaxanes

The mechanical interlocking of molecular components can lead to the appearance novel and unconventional properties processes, with potential relevance for applications in nanoscience, sensing, catalysis, materials science. We describe a [3]rotaxane which number recognition sites available on axle component be changed by acid-base inputs, encompassing cases this is larger, equal to, or smaller than interlocked macrocycles. These species exhibit very different give rise unique network reactions that leads fine pKa tuning chemically equivalent acidic sites. rotaxane where only one station two rings exhibits rich coconformational dynamics, unveiled an integrated experimental computational approach. In compound, crown ethers compete sole site, but also come together share it, driven need minimize free energy without evident inter-ring interactions.