authors |
Langton, MJ; Marques, I; Robinson, SW; Felix, V; Beer, PD |
nationality |
International |
journal |
CHEMISTRY-A EUROPEAN JOURNAL |
author keywords |
anions; halogen bonding; molecular dynamics; rotaxanes; supramolecular chemistry; water |
keywords |
ANION RECOGNITION; AQUEOUS-MEDIA; SUPRAMOLECULAR CHEMISTRY; TRANSITION-METAL; HIGH-AFFINITY; HOST SYSTEM; RECEPTOR; FLUORESCENT; BINDING; CHLORIDE |
abstract |
The synthesis and anion-recognition properties of the first halogen-bonding rotaxane host to sense anions in water is described. The rotaxane features a halogen-bonding axle component, which is stoppered with water-solubilizing permethylated beta-cyclodextrin motifs, and a luminescent tris(bipyridine) ruthenium (II)-based macrocycle component. H-1 NMR anion-binding titrations in D2O reveal the halogen-bonding rotaxane to bind iodide with high affinity and with selectively over the smaller halide anions and sulfate. The binding affinity trend was explained through molecular dynamics simulations and free-energy calculations. Photo-physical investigations demonstrate the ability of the interlocked halogen-bonding host to sense iodide in water, through enhancement of the macrocycle component's Ru-II metal-ligand charge transfer (MLCT) emission. |
publisher |
WILEY-V C H VERLAG GMBH |
issn |
0947-6539 |
year published |
2016 |
volume |
22 |
issue |
1 |
beginning page |
185 |
ending page |
192 |
digital object identifier (doi) |
10.1002/chem.201504018 |
web of science category |
Chemistry, Multidisciplinary |
subject category |
Chemistry |
unique article identifier |
WOS:000368897600023
|