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Kinetics and mechanism of oxidation of hydroxyurea derivatives with hexacyanoferrate(III) in aqueous solution
Croatica Chemica Acta, 84 (2011), 2; 133-147. https://doi.org/10.5562/cca1799
Budimir, Ana; Weitner, Tin; Kos, Ivan; Šakić, Davor; Gabričević, Mario; Bešić, Erim; Biruš, Mladen

Institucijski repozitorij: Repozitorij Farmaceutsko-biokemijskog fakulteta Sveučilišta u Zagrebu

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Budimir, A., Weitner, T., Kos, I., Šakić, D., Gabričević, M., Bešić, E. i Biruš, M. (2011). Kinetics and mechanism of oxidation of hydroxyurea derivatives with hexacyanoferrate(III) in aqueous solution. Croatica Chemica Acta, 84. (2), 133-147. doi: 10.5562/cca1799

Budimir, Ana, et al. "Kinetics and mechanism of oxidation of hydroxyurea derivatives with hexacyanoferrate(III) in aqueous solution." Croatica Chemica Acta, vol. 84, br. 2, 2011, str. 133-147. https://doi.org/10.5562/cca1799

Budimir, Ana, Tin Weitner, Ivan Kos, Davor Šakić, Mario Gabričević, Erim Bešić i Mladen Biruš. "Kinetics and mechanism of oxidation of hydroxyurea derivatives with hexacyanoferrate(III) in aqueous solution." Croatica Chemica Acta 84, br. 2 (2011): 133-147. https://doi.org/10.5562/cca1799

Budimir, A., et al. (2011) 'Kinetics and mechanism of oxidation of hydroxyurea derivatives with hexacyanoferrate(III) in aqueous solution', Croatica Chemica Acta, 84(2), str. 133-147. doi: 10.5562/cca1799

Budimir A, Weitner T, Kos I, Šakić D, Gabričević M, Bešić E, i sur.. Kinetics and mechanism of oxidation of hydroxyurea derivatives with hexacyanoferrate(III) in aqueous solution. Croatica Chemica Acta [Internet]. 2011. [pristupljeno 22.11.2024.];84(2):133-147. doi: 10.5562/cca1799

A. Budimir, et al., "Kinetics and mechanism of oxidation of hydroxyurea derivatives with hexacyanoferrate(III) in aqueous solution", Croatica Chemica Acta, vol. 84, br. 2, str. 133-147, 2011. [Online]. Dostupno na: https://urn.nsk.hr/urn:nbn:hr:163:596614. [Citirano: 22.11.2024.]

Za citiranje koristite ovu mrežnu adresu: https://urn.nsk.hr/urn:nbn:hr:163:596614
Podaci o radu
Naslov (engleski)Kinetics and mechanism of oxidation of hydroxyurea derivatives with hexacyanoferrate(III) in aqueous solution
AutorAna Budimir
AutorTin Weitner
AutorIvan Kos
AutorDavor Šakić
AutorMario Gabričević
AutorErim Bešić
AutorMladen Biruš
Autorova ustanovaSveučilište u Zagrebu
Farmaceutsko-biokemijski fakultet
(Zavod za biofiziku)
Autorova ustanovaSveučilište u Zagrebu
Farmaceutsko-biokemijski fakultet
(Zavod za opću i anorgansku kemiju)
Znanstveno / umjetničko
područje, polje i grana		PRIRODNE ZNANOSTI
Kemija
Anorganska kemija
Sažetak (engleski)
Kinetics and mechanisms of the oxidation of methoxyurea and N-methylhydroxyurea were studied in neutral and basic aqueous solutions. The obtained pH dependences of the oxidation rates indicate that for both hydroxyureas the reactive species are the deprotonated ones. The second order rate constants, the activation enthalpies and the activation entropies for the reactions of methoxyurea (O-methylhydroxyurea) and N-methylhydroxyurea anions with Fe(CN)6 3− at 25 oC, I = 2 mol dm−3 (NaClO4) were determined as (5.06 ± 0.01) x 102 mol−1 dm3 s−1, (1.92 ± 0.02) x 104 mol−1 dm3 s−1, 27 ± 1 kJ mol−1, 16 ± 1 kJ mol−1, −101 ± 2 J mol−1 K−1, and −107 ± 4 J mol−1 K−1, respectively. The pKa value of methoxyurea at 25 oC and 2 mol dm−3 ionic strength was determined kinetically as 12.7 ± 0.1 and the thermodynamic parameters for the deprotonation reaction were determined as ΔaH = 43 ± 1 kJ mol−1, and ΔaS = −96 ± 4 J mol−1 K−1. When the kinetic results are compared with the data reported for hydroxyurea, an inverse dependence of the rate constants on the pKa of the hydroxyurea derivatives at 25 oC is observed. Such unexpected behaviour has been explained by the ab initio calculations and NBO analysis of HOMOs for all three hydroxyureates. (doi: 10.5562/cca1799)
Ključne riječi (engleski)
Jezikengleski
Vrsta publikacijeZnanstveni rad - Izvorni znanstveni rad
Status objaveObjavljen
Vrsta recenzijeRecenziran - međunarodna recenzija
Verzija publikacijeObjavljena verzija rada (izdavačev PDF)
Naslov časopisaCroatica Chemica Acta
Brojčani podacivol. 84, br. 2, str. 133-147
p-ISSN0011-1643
e-ISSN1334-417X
DOIhttps://doi.org/10.5562/cca1799
URN:NBNurn:nbn:hr:163:596614
Datum objave publikacije2011
URL dokumentahttps://hrcak.srce.hr/71976
Vrsta resursaTekst
Prava pristupaOtvoreni pristup
Uvjeti korištenjaIkona licence Zaštićeno autorskim pravom.
Datum i vrijeme pohrane2020-04-17 16:31:40