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Benzoylguanidinium Cations as the Anion Sensing Groups. UV/Vis and Theoretical Study


Glasovac, Zoran; Barešić, Luka; Antol, Ivana; Margetić, Davor
Benzoylguanidinium Cations as the Anion Sensing Groups. UV/Vis and Theoretical Study // European Symposium on Organic Reactivity. Conference Information and Book of Abstracts.
Durham, UK, 2017. str. PP14-PP14 (poster, međunarodna recenzija, sažetak, znanstveni)


Naslov
Benzoylguanidinium Cations as the Anion Sensing Groups. UV/Vis and Theoretical Study

Autori
Glasovac, Zoran ; Barešić, Luka ; Antol, Ivana ; Margetić, Davor

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
European Symposium on Organic Reactivity. Conference Information and Book of Abstracts. / - Durham, UK, 2017, PP14-PP14

Skup
European Symposium on Organic Reactivity ESOR2017

Mjesto i datum
Durham, Ujedinjeno Kraljevstvo, 3-8. rujan 2017.

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
Benzoylguanidines, anion sensing, UV spectra, DFT calculations
(Lguanidines, anion sensing, UV spectra, DFT calculations)

Sažetak
Guanidinium cation as a functional group has been recognized long time ago as the powerful anion binding moiety which interacts with anions through multiple hydrogen bonding and Coulombic interaction. Therefore, it has been often used as a part of various anion sensors.1, 2 Sensor response could be triggered either by deprotonation or by the anion binding where the former process usually gives a larger effect, as shown for some thiourea derivatives. As a continuation of our interest in chromophore-guanidinium systems, we prepared a series of benzoylguanidium hydrochloride salts (Scheme) and tested their interactions with different anions (AcO-, F-, H2PO4-, NO3- and ClO4-). The role of water was also investigated. The measured UV/Vis spectra were compared with those calculated using TD-DFT methods. Obtained results indicate that the deprotonation is dominant process during the titration with moderate and strongly basic anions.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
HRZZ-IP-2013-11-9310 - Nekovalentne interakcije u dizajnu novih fotoosjetljivih molekula (Davor Margetić, )

Ustanove
Institut "Ruđer Bošković", Zagreb