Capping the calix: how toluene completes cesium(i) coordination with calix[4]pyrrole. Issue 41 (9th May 2017)

• Record Type: Journal Article
• Authors: Ellis, Ross J.; Reinhart, Benjamin; Williams, Neil J.; Moyer, Bruce A.; Bryantsev, Vyacheslav S.
• Is Part Of: Chemical communications. Volume 53:Issue 41(2017)
• Page Start: 5610
• Page End: 5613
• Publication Date: 2017-05-09
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/c7cc02347b
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : EXAFS measurements and simulations reveal surprising interactions between the toluene solvent and the open face of the bound Cs(i ) cation that allow toluene to "cap-the-calix". Abstract : The role of solvent in molecular recognition systems is under-researched and often ignored, especially when the solvent is considered "non-interacting". This study concerns the role of toluene solvent in cesium(i ) recognition by calix[4]pyrrole. We show that π-donor interactions bind toluene molecules onto the open face of the cation-receptor complex, thus "capping the calix." By characterizing this unusual aromatically-saturated complex, we show how "non-interacting" aromatic solvents can directly coordinate receptor-bound cations and thus influence recognition.