Molecular Recognition of Strong Acids by Using a 2-Ureido-4-Ferrocenyl Pyrimidine Receptor

Soma J. Keszei, Szabolcs Balogh, Csaba Fehér, Lívia Nagy, Nikolay Tumanov, Johan Wouters, Gyorgy Lendvay, Rita Skoda-Földes

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

The properties of a ferrocenyl ureidopyrimidine derivative, a potential electrochemical sensor for trifluoromethanesulfonic acid and trifluoroacetic acid, were investigated using UV/Vis, NMR and CV measurements. Upon protonation a structural change was found to take place leading to the formation of a proper binding site for the anion of the acid. Anion binding has been proved for both CF3SO3- and CF3CO2-as well as for the BF4- anion by 1H NMR measurements. Moreover, titration experiments carried out with CF3SO3H and CF3CO2H resulted in different responses in the NMR spectra of the pyrimidine host. Cyclic voltammetry was found to be suitable to follow the addition of the acids to the host molecule. DFT calculations and X-ray diffraction were used to explore the properties of anion binding.
langue originaleAnglais
Pages (de - à)4095-4104
Nombre de pages10
journalEuropean Journal of Inorganic Chemistry
Volume2019
Numéro de publication38
Les DOIs
étatPublié - 17 oct. 2019

Empreinte digitale

Molecular recognition
Anions
Acids
Nuclear magnetic resonance
Trifluoroacetic Acid
Electrochemical sensors
Protonation
Titration
Discrete Fourier transforms
Cyclic voltammetry
Binding Sites
Derivatives
X ray diffraction
Molecules
pyrimidine
Experiments

Citer ceci

Keszei, Soma J. ; Balogh, Szabolcs ; Fehér, Csaba ; Nagy, Lívia ; Tumanov, Nikolay ; Wouters, Johan ; Lendvay, Gyorgy ; Skoda-Földes, Rita. / Molecular Recognition of Strong Acids by Using a 2-Ureido-4-Ferrocenyl Pyrimidine Receptor. Dans: European Journal of Inorganic Chemistry. 2019 ; Vol 2019, Numéro 38. p. 4095-4104.
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abstract = "The properties of a ferrocenyl ureidopyrimidine derivative, a potential electrochemical sensor for trifluoromethanesulfonic acid and trifluoroacetic acid, were investigated using UV/Vis, NMR and CV measurements. Upon protonation a structural change was found to take place leading to the formation of a proper binding site for the anion of the acid. Anion binding has been proved for both CF3SO3- and CF3CO2-as well as for the BF4- anion by 1H NMR measurements. Moreover, titration experiments carried out with CF3SO3H and CF3CO2H resulted in different responses in the NMR spectra of the pyrimidine host. Cyclic voltammetry was found to be suitable to follow the addition of the acids to the host molecule. DFT calculations and X-ray diffraction were used to explore the properties of anion binding.",
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Molecular Recognition of Strong Acids by Using a 2-Ureido-4-Ferrocenyl Pyrimidine Receptor. / Keszei, Soma J.; Balogh, Szabolcs; Fehér, Csaba; Nagy, Lívia; Tumanov, Nikolay; Wouters, Johan; Lendvay, Gyorgy; Skoda-Földes, Rita.

Dans: European Journal of Inorganic Chemistry, Vol 2019, Numéro 38, 17.10.2019, p. 4095-4104.

Résultats de recherche: Contribution à un journal/une revueArticle

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T1 - Molecular Recognition of Strong Acids by Using a 2-Ureido-4-Ferrocenyl Pyrimidine Receptor

AU - Keszei, Soma J.

AU - Balogh, Szabolcs

AU - Fehér, Csaba

AU - Nagy, Lívia

AU - Tumanov, Nikolay

AU - Wouters, Johan

AU - Lendvay, Gyorgy

AU - Skoda-Földes, Rita

PY - 2019/10/17

Y1 - 2019/10/17

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AB - The properties of a ferrocenyl ureidopyrimidine derivative, a potential electrochemical sensor for trifluoromethanesulfonic acid and trifluoroacetic acid, were investigated using UV/Vis, NMR and CV measurements. Upon protonation a structural change was found to take place leading to the formation of a proper binding site for the anion of the acid. Anion binding has been proved for both CF3SO3- and CF3CO2-as well as for the BF4- anion by 1H NMR measurements. Moreover, titration experiments carried out with CF3SO3H and CF3CO2H resulted in different responses in the NMR spectra of the pyrimidine host. Cyclic voltammetry was found to be suitable to follow the addition of the acids to the host molecule. DFT calculations and X-ray diffraction were used to explore the properties of anion binding.

KW - Cyclic voltammetry

KW - DFT calculations

KW - Ferrocene

KW - Hhost-guest systems

KW - NMR spectroscopy

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