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Thermodynamics of Complexation of Alkali-Metal Cations by Fluorescent Phenanthridine-Based Calix[4]arene Derivatives (CROSBI ID 632314)

Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija

Tranfić Bakić, Marina ; Horvat, Gordan ; Požar, Josip ; Frkanec, Leo ; Tomišić, Vladislav Thermodynamics of Complexation of Alkali-Metal Cations by Fluorescent Phenanthridine-Based Calix[4]arene Derivatives // 13th International Conference on Calixarenes (Calix 2015) : Book of Abstracts. 2015. str. SL11-SL11

Podaci o odgovornosti

Tranfić Bakić, Marina ; Horvat, Gordan ; Požar, Josip ; Frkanec, Leo ; Tomišić, Vladislav

engleski

Thermodynamics of Complexation of Alkali-Metal Cations by Fluorescent Phenanthridine-Based Calix[4]arene Derivatives

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.

calixarenes ; alkali-metal cations ; complexation ; thermodynamics ; fluorescence

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Podaci o prilogu

SL11-SL11.

2015.

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objavljeno

Podaci o matičnoj publikaciji

13th International Conference on Calixarenes (Calix 2015) : Book of Abstracts

Podaci o skupu

13th International Conference on Calixarenes (Calix 2015)

predavanje

05.07.2015-09.07.2015

Giardini-Naxos, Italija

Povezanost rada

Kemija