Počet záznamů: 1
Ion vs. ion pair receptor: NMR and DFT study of the interaction of Thallium and Cesium ions and ion pairs with meso-octamethylcalix[4]pyrrole
- 1.0377084 - ÚMCH 2013 RIV NL eng J - Článek v odborném periodiku
Kříž, Jaroslav - Dybal, Jiří - Makrlík, E. - Sedláková, Zdeňka
Ion vs. ion pair receptor: NMR and DFT study of the interaction of Thallium and Cesium ions and ion pairs with meso-octamethylcalix[4]pyrrole.
Chemical Physics. Roč. 400, 25 May (2012), s. 19-28. ISSN 0301-0104. E-ISSN 1873-4421
Grant CEP: GA ČR GA203/09/1478
Výzkumný záměr: CEZ:AV0Z40500505
Klíčová slova: calix[4]pyrrole * cesium receptor * fluoride receptor
Kód oboru RIV: CD - Makromolekulární chemie
Impakt faktor: 1.957, rok: 2012
Binding interaction of Tl+, Cs+, Li+Br−, and Cs+Br− with meso-octamethylcalix[4]pyrrole (1) in nitrobenzene-d5 was studied using 1H, 13C, 7Li, and 133Cs NMR spectroscopy and DFT quantum-chemical calculations. 1 is shown to bind fairly strongly Tl+ cations (K = 1600±80 mol-1L-1). The binding of Cs+ is much weaker (K = 370±18 mol-1L-1). Li+Br− binds to 1 (K = 1790±160 mol-1L-1) forming four energetically close complexes. Cs+ Br− prepared in situ binds strongly to 1 ( mol-1L-1, log K = 5.015). The cooperative binding of Cs+ and Br− ions is shown to invert the natural conformation of 1.
Trvalý link: http://hdl.handle.net/11104/0209338
Počet záznamů: 1