Shedding Light on the Capabilities of Heteroditopic Mechanically Interlocked Molecules in Ion-Pair Sensing.

ABSTRACT: Heterotopic mechanically interlocked molecules contain different binding sites within their structure, allowing them to recognize specific ion pairs (cations and anions) with a high affinity. The employment of heteroditopic receptors offers advantages over monotopic analogues, in general, being composed of both cation and anion binding sites. The present study elucidates the electronic structure-based recognition of anions and cations of a heteroditopic [2]catenane, IO. Spherical cations and anions have been employed. The structure of IO was modified by replacing its original oxygen atoms of the crown-ether moiety by sulfur atoms and σ-hole donor iodines by -Te-CH₃ groups leading to the modified [2]catenanes IS and TeO, respectively. Energy decomposit

SUBMITTER: Amorim FJ 

PROVIDER: S-EPMC12927025 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature