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Lithium ionophore VIII as an extraordinarily effective receptor for the strontium cation: Experimental and theoretical study
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SYSNO ASEP 0427713 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Lithium ionophore VIII as an extraordinarily effective receptor for the strontium cation: Experimental and theoretical study Tvůrce(i) Makrlík, E. (CZ)
Novák, Vít (UOCHB-X) RID
Vaňura, P. (CZ)
Bouř, Petr (UOCHB-X) RID, ORCIDCelkový počet autorů 4 Zdroj.dok. Journal of Molecular Structure. - : Elsevier - ISSN 0022-2860
Roč. 1061, Mar 5 (2014), s. 110-113Poč.str. 4 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova strontium cation ; lithium ionophore VIII ; complexation ; extraction and stability constants ; DFT calculations ; structures Vědní obor RIV CF - Fyzikální chemie a teoretická chemie Institucionální podpora UOCHB-X - RVO:61388963 UT WOS 000331686500017 EID SCOPUS 84893187026 DOI 10.1016/j.molstruc.2013.12.061 Anotace From extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Sr2+(aq) + 2A(-)(aq) + 1(nb) = 1 center dot Sr2+(nb) + 2A(-)(nb) taking place in the two-phase water-nitrobenzene system (A(-) = picrate, 1 = lithium ionophore VIII; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as logK(ex) (1 center dot Sr2+, 2A(-)) = 7.8 +/- 0.1. Further, the extremely high stability constant of the 1-Sr2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb) (1 center dot Sr2+) = 16.9 +/- 0.1. Finally, by using OFT calculations, the most probable structure of the cationic complex species 1.Sr2+ was derived. In the resulting complex, the "central" cation Sr' is bound by six very strong bond interactions to the corresponding six oxygen atoms of the parent ligand 1; the interaction energy of this complex was found to be -959.9 kJ/mol. Pracoviště Ústav organické chemie a biochemie Kontakt asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Rok sběru 2015
Počet záznamů: 1