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UNDERSTANDING THE ATTRACTION BETWEEN HYDROPHOBIC CAVITIES AND BENZENE DERIVATIVES (CROSBI ID 720291)

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

Babić, Tea ; Usenik, Andrea ; Pičuljan, Katarina ; Bedeković, Nikola ; Požar, Josip UNDERSTANDING THE ATTRACTION BETWEEN HYDROPHOBIC CAVITIES AND BENZENE DERIVATIVES. 2022. str. 75-75

Podaci o odgovornosti

Babić, Tea ; Usenik, Andrea ; Pičuljan, Katarina ; Bedeković, Nikola ; Požar, Josip

engleski

UNDERSTANDING THE ATTRACTION BETWEEN HYDROPHOBIC CAVITIES AND BENZENE DERIVATIVES

Amongst macrocyclic receptors, cucurbit[7]uril (CB7) and β-cyclodextrin (β-CD) stand out as good receptors for hydrophobic species in aqueous solutions. In contrast to the frequently investigated hosting of aliphatic compounds, the inclusion of aromatic guests within these hosts is far less explored. Taking this into account, we have studied the complexation of various benzene derivatives with CB7 and β-CD in water by means of isothermal titration microcalorimetry and in a wide temperature range (5−65 °C). ROESY and 1H NMR experiments were carried out to investigate the inclusion of 4-tert-butylphenol into the host cavities. The inclusion of guests within the CB7 cavity in vacuo was also studied by performing DFT calculation using the bp86/tzvp level of theory. The examined host-guest systems exhibited distinct ΔrH° and ΔrS° temperature dependence, resulting in weak variation of standard Gibbs energy with temperature. The complexation thermodynamics at lower temperatures was in agreement with the classical interpretation of the hydrophobic effect, whereas the binding at higher temperatures was in line with the non-classical rationale.

Hydrophobic effect ; inclusion complex ; complexation thermodynamics ; cyclodextrins ; cucurbit[7]uril ; aromatic derivatives

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Podaci o prilogu

75-75.

2022.

objavljeno

Podaci o matičnoj publikaciji

Podaci o skupu

Magnetic Moments in Central Europe 2022 (MMCE 2022)

poster

01.06.2022-04.06.2022

Primošten, Hrvatska

Povezanost rada

Kemija