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Estimation of Stability Constants of Copper(II) Bis-chelates by the Overlapping Spheres Method

Ante Miličević
Nenad Raos

Puni tekst: engleski, pdf (297 KB) str. 281-290 preuzimanja: 923* citiraj
APA 6th Edition
Miličević, A. i Raos, N. (2006). Estimation of Stability Constants of Copper(II) Bis-chelates by the Overlapping Spheres Method. Croatica Chemica Acta, 79 (2), 281-290. Preuzeto s https://hrcak.srce.hr/4159
MLA 8th Edition
Miličević, Ante i Nenad Raos. "Estimation of Stability Constants of Copper(II) Bis-chelates by the Overlapping Spheres Method." Croatica Chemica Acta, vol. 79, br. 2, 2006, str. 281-290. https://hrcak.srce.hr/4159. Citirano 05.04.2020.
Chicago 17th Edition
Miličević, Ante i Nenad Raos. "Estimation of Stability Constants of Copper(II) Bis-chelates by the Overlapping Spheres Method." Croatica Chemica Acta 79, br. 2 (2006): 281-290. https://hrcak.srce.hr/4159
Harvard
Miličević, A., i Raos, N. (2006). 'Estimation of Stability Constants of Copper(II) Bis-chelates by the Overlapping Spheres Method', Croatica Chemica Acta, 79(2), str. 281-290. Preuzeto s: https://hrcak.srce.hr/4159 (Datum pristupa: 05.04.2020.)
Vancouver
Miličević A, Raos N. Estimation of Stability Constants of Copper(II) Bis-chelates by the Overlapping Spheres Method. Croatica Chemica Acta [Internet]. 2006 [pristupljeno 05.04.2020.];79(2):281-290. Dostupno na: https://hrcak.srce.hr/4159
IEEE
A. Miličević i N. Raos, "Estimation of Stability Constants of Copper(II) Bis-chelates by the Overlapping Spheres Method", Croatica Chemica Acta, vol.79, br. 2, str. 281-290, 2006. [Online]. Dostupno na: https://hrcak.srce.hr/4159. [Citirano: 05.04.2020.]

Sažetak
The method of overlapping spheres (OS) was applied for the estimation of stability constants (β2) of sets of (binary) copper(II) bis-complexes with 1,2-diaminoethanes (N = 14), aliphatic amino acids and their N-alkylated derivatives (N = 11), and naturally occurring amino acids (N = 9), along with a set of 16 mixed (ternary) copper(II) bis-complexes with naturally occurring amino acids. The central sphere, with the radius, Rv, 300 or 400 pm, was situated at the copper atom. The OS volumes (V*) of the central sphere and the van der Waals spheres of the surrounding atoms were calculated from the structures of bis- or corresponding mono-complexes
and correlated with the log β2 values. Both approaches yielded similar results, differing in the reproduction of stability constants by less than 20 %. Bivariate linear regression was performed
for mixed complexes, using (V*1 + V*2) and (V*1 – V*2) as independent variables (V*1 and V*2 correspond to the OS values for the two constituting chelate rings). The bivariate linear regression gave r = 0.961 and the reproduction of experimental data from 0.00 to 0.16 log β units (S.E.cv = 0.08 log β units).

Ključne riječi
amino acids; 1,2-diaminoethanes; molecular volumes

Hrčak ID: 4159

URI
https://hrcak.srce.hr/4159

Posjeta: 1.139 *