Physical Consequences of a Mechanically Interlocked Architecture: Benzylic Amide Catenane NH Stretching Vibrations as Sensitive Probes for Weakly Hydrogen-Bonding Environments

Computer simulations show that the sensitivity of the NH stretch frequency of a benzylic amide [2]catenane to variations of the salt matrix originates from its mechanically interlocked molecular architecture, in which hydrogen bonds of various strength coexist. The picture shows the interlocked [2]catenane and the hydrogen bonds inside it.