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Thermodynamic and structural studies of the complexation of alkali-metal cations with calix[4]arene amide derivates in several organic solvents (CROSBI ID 677421)

Prilog sa skupa u zborniku | sažetak izlaganja sa skupa

Horvat, Gordan ; Barišić, Antun ; Rinkovec, Tamara ; Cindro, Nikola ; Frkanec, Leo ; Tomišić, Vladislav ; Thermodynamic and structural studies of the complexation of alkali-metal cations with calix[4]arene amide derivates in several organic solvents // 26. Hrvatski skup kemičara i kemijskih inženjera s međunarodnim sudjelovanjem ; 4. Simpozij Vladimir Prelog : knjiga sažetaka / Galić, Nives ; Rogošić, Marko (ur.). Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2019. str. 157-157

Podaci o odgovornosti

Horvat, Gordan ; Barišić, Antun ; Rinkovec, Tamara ; Cindro, Nikola ; Frkanec, Leo ; Tomišić, Vladislav ;

engleski

Thermodynamic and structural studies of the complexation of alkali-metal cations with calix[4]arene amide derivates in several organic solvents

Calixarenes comprising secondary- and tertiary- amide groups at the lower rim are known to be versatile receptors for alkali-metal cations in organic solvents.[1-3] Here we present the effect of solvent on the complexation reactions of the lower-rim calix[4]arene secondary and tertiary-amide derivatives 1, 2 and 3 (Figure 1) with alkali-metal cations. The complexation was explored by means of UV-Vis spectrophotometric and isothermal microcalorimetric titrations in N- methylformamide (NMF), N, N-dimethylformamide (DMF) and ethanol. The stability constants of the complexes, as well as the corresponding reaction Gibbs energies, enthalpies and entropies were determined from the obtained experimental data. Using the measured ligand solubilities and literature data for cation solvation thermodynamics, transfer Gibbs energies of all reactants and products were calculated. To get more detailed insight into the binding of cations and solvent molecules by the investigated calix[4]arenes, molecular dynamics simulations were carried out as well. Calixarene 1 specifically binds Na+ cation in all solvents examined. In NMF and DMF compounds 2 and 3 bind all alkali-metal cations, apart from Cs+, whereas in ethanol the binding of Li+, Na+ and K+ can be observed. In the course of molecular dynamics simulations the inclusion of solvent molecules was observed for all studied complexes.

kaliksareni, kationi alkalijskih metala, kompleksiranje

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Podaci o prilogu

157-157.

2019.

objavljeno

Podaci o matičnoj publikaciji

26. Hrvatski skup kemičara i kemijskih inženjera s međunarodnim sudjelovanjem ; 4. Simpozij Vladimir Prelog : knjiga sažetaka

Galić, Nives ; Rogošić, Marko

Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI)

978-953-6894-67-3

Podaci o skupu

26. hrvatski skup kemičara i kemijskih inženjera (26HSKIKI) ; 4. simpozij Vladimir Prelog

poster

09.04.2019-12.04.2019

Šibenik, Hrvatska

Povezanost rada

Kemija

Poveznice