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Pregled bibliografske jedinice broj: 799921

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Autori: Tranfić Bakić, Marina; Horvat, Gordan; Požar, Josip; Frkanec, Leo; Tomišić, Vladislav
Naslov: Thermodynamics of Complexation of Alkali-Metal Cations by Fluorescent Phenanthridine-Based Calix[4]arene Derivatives
( Thermodynamics of Complexation of Alkali-Metal Cations by Fluorescent Phenanthridine-Based Calix[4]arene Derivatives )
Izvornik: 13th International Conference on Calixarenes, Calix2015 Book of Abstracts
Skup: 13th International Conference on Calixarenes, Calix 2015
Mjesto i datum: Giardini Naxos, Italija, 05-09.07.2015.
Ključne riječi: calixarenes ; alkali-metal cations ; complexation ; thermodynamics ; fluorescence
( calixarenes ; alkali-metal cations ; complexation ; thermodynamics ; fluorescence )
Sažetak:
Complexation of fluorescent calix[4]arene derivatives 1 and 2 with alkali-metal cations was studied at 25 °C in acetonitrile/dichloromethane and methanol/dichloromethane solvent mixtures (φ = 0.5) by means of fluorimetric, spectrophotometric, potentiometric, and microcalorimetric titrations as well as NMR spectroscopy. The stability constants of the corresponding complexes were determined, as were the enthalpies and entropies of the complexation reactions. The solvent effect on the equilibria of these reactions was particularly addressed. It was found that cation-binding affinity of ligand 1 with four phenathridine subunits was much higher than that of 2, with the complex stabilities in all cases being significantly lower in methanol/dichloromethane mixture compared to that in acetonitrile/dichloromethane. These findings could be explained by taking into account the determined thermodynamic complexation data, structural properties of the ligand and free and complexed cations, as well as the solvation abilities of the solvents examined. The conclusions made on the basis of the experimental results were supported by the molecular dynamics simulations of the systems studied. The applied integrated approach comprising several experimental and computational techniques has provided a rather detailed insight into the factors governing the complexation processes.
Vrsta sudjelovanja: Predavanje
Vrsta prezentacije u zborniku: Sažetak
Vrsta recenzije: Međunarodna recenzija
Projekt / tema: IP-2014-09-7309
Izvorni jezik: eng
Kategorija: Ostalo
Znanstvena područja:
Kemija
Upisao u CROSBI: Vladislav Tomišić (vtomisic@chem.pmf.hr:Vladislav.Tomisic@chem.pmf.hr), 11. Vel. 2016. u 16:47 sati



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