2026-04-13T13:25:39Zhttps://recercat.cat/oai/request
oai:recercat.cat:2072/4689182024-11-04T05:58:20Zcom_2072_98col_2072_378192
RECERCAT author Ruiz-Botella, Sheila author Vidossich, Pietro author Ujaque Pérez, Gregori author Peris, Eduardo author Beer, Paul D. 2024-11-04T05:58:20Z 2024-11-04T05:58:20Z 2017 http://hdl.handle.net/2072/468918 Altres ajuts: Universitat Jaume I (P11B2014-02)The synthesis, characterization and anion binding properties of 1,3,5-tri-substituted benzene platform-based tripodal receptors containing halogen bonding (XB) iodo-imidazolium and iodo-triazolium motifs, and hydrogen bonding (HB) analogues are described. Proton NMR anion binding investigations reveal the XB receptors are superior halide complexants compared to hydrogen bonding (HB) receptor analogues, with the iodo-imidazolium tripodal receptor exhibiting notably higher association constant values in comparison to the iodo-triazolium host system. In contrast, the HB tripod receptors, display higher affinities for dihydrogen phosphate than the XB receptors. Computational DFT and molecular dynamics were used to corroborate the experimental observations, and to give a clearer insight into the intimate nature of halide binding. The studies reveal a fundamental different binding behavior for the imidazolium-based and the iodo-imidazolium-based receptors. open access Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original. https://creativecommons.org/licenses/by/4.0/ Tripodal halogen bonding iodo-azolium receptors for anion recognition Article