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Pregled bibliografske jedinice broj: 936506

Časopis

Autori: Tranfić Bakić, Marina; Leko, Katarina; Cindro, Nikola; Portada, Tomislav; Hrenar, Tomica; Frkanec, Leo; Horvat, Gordan; Požar, Josip; Tomišić, Vladislav
Naslov: Synthesis of Fluorescent Diphenylanthracene-Based Calix[4]arene Derivatives and their Complexation with Alkali Metal Cations
Izvornik: Croatica chemica acta (0011-1643) 90 (2017), 4; 711-725
Vrsta rada: članak
Ključne riječi: calixarenes, diphenylanthracene, alkali metal cations, fluorescence, complexation, thermodynamics
Sažetak:
Two novel fluorescent calix[4]arenes comprising diphenylanthracene moiety at the lower rim were synthetized and their complexation with alkali metal cations in acetonitrile/dichloromethane and methanol/dichloromethane mixtures (φ = 0.5) was studied experimentally and by classical molecular dynamics and quantum chemical calculations. The monosubstituted calixarene derivative (L1) proved to be a poor cation receptor, whereas the ester-based macrocycle (L2) exhibited rather high affinity towards lithium, sodium and potassium cations, particularly in MeCN/CH2Cl2. All complexation reactions were enthalpically controlled, whereby the overall stability was the largest in the case of sodium complex. The computational investigations provided an additional insight into the complexation properties and structures of complex species. The molecular dynamics simulations indicated the occurrence of inclusion of solvent molecules in the calixarene hydrophobic cavity of the free and complexed ligand, which was found to significantly affect the complexation equilibria.
Projekt / tema: HRZZ-IP-2014-09-7309
Izvorni jezik: ENG
Rad je indeksiran u
bazama podataka:
Current Contents Connect (CCC)
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Kategorija: Znanstveni
Znanstvena područja:
Kemija
URL Internet adrese: https://doi.org/10.5562/cca3308
https://doi.org/10.5562/cca3308
Broj citata:
Altmetric:
DOI: 10.5562/cca3308
URL cjelovitog teksta:
Google Scholar: Synthesis of Fluorescent Diphenylanthracene-Based Calix[4]arene Derivatives and their Complexation with Alkali Metal Cations
Upisao u CROSBI: Katarina Leko (kleko@chem.pmf.hr), 28. Tra. 2018. u 11:37 sati



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