Sulfur Groups Improve the Performance of Triazole- and Triazolium-Based Interaction Units in Anion Binding.
Mónica Álvarez-PérezMarina VeladoDiego García-PuentesElena SáezCristina VicentRoberto Fernández de la PradillaAlma VisoMaría C de la TorreMiguel A SierraPublished in: The Journal of organic chemistry (2017)
An NMR comparative study of 1,2,3-triazole and triazolium anion recognition units containing sulfoxide, sulfone, and sulfoximine groups at C4 unveils an enhancement in binding ability up to ≈1 kcal/mol in acetone-d6 correlated with a theoretical increase of H5 acidity. DFT calculations provide insight into binding modes in line with experimental data for these receptors.