AI Article Synopsis
- A new type of receptor based on a 3,5-bis-triazole pyridine structure, featuring both halogen and chalcogen bond donors, shows enhanced ability to recognize halide anions.
- Multi-nuclear NMR and ion pair binding studies indicate that the presence of sodium ions with the benzo-15-crown-5 significantly boosts the binding strength for bromide and iodide, especially with chalcogen bonding receptors showing over 200 times more effectiveness.
- DFT calculations suggest that the interaction with sodium polarizes the bonding sites, contributing to the unique cooperative effects in these receptor systems.
Article Abstract
A series of heteroditopic receptors containing halogen bond (XB) and unprecedented chalcogen bond (ChB) donors integrated into a 3,5-bis-triazole pyridine structure covalently linked to benzo-15-crown-5 ether motifs exhibit remarkable cooperative recognition of halide anions. Multi-nuclear H, C, Te and F NMR, ion pair binding investigations reveal sodium cation-benzo-crown ether binding dramatically enhances the recognition of bromide and iodide halide anions, with the chalcogen bonding heteroditopic receptor notably displaying the largest enhancement of halide binding strength of over two hundred-fold, in comparison to the halogen bonding and hydrogen bonding heteroditopic receptor analogues. DFT calculations suggest crown ether sodium cation complexation induces a polarisation of the sigma hole of ChB and XB heteroditopic receptor donors as a significant contribution to the origin of the unique cooperativity exhibited by these systems.
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7383679 | PMC |
| http://dx.doi.org/10.1002/anie.202001125 | DOI Listing |
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