Manuscript accepted on : 10 October 2014
Published online on: --
Aktoty Bolatovna Niyazbekova, Nikolay Vladimirovich Akatyev and Timur Askarovich Shakirov
West Kazakhstan State University Named M.Utemisov’s, Republic of Kazakhstan, 090000, Uralsk, Dostykstreet 162.
DOI : http://dx.doi.org/10.13005/bbra/1448
ABSTRACT: The thermodynamic properties and equilibrium constants of cyclotri-, tetra-, penta-and hexaphosphates systems with di-and trivalent cations, p-and d-elements for different cyclophosphate / metal molar ratios equal 2:1, 1:1, 1:2 and 1:3 were calculated by using PM3 quantum-chemical semi-empirical method. It was shown that the state of systems equilibrium determines their strength and formation patterns.
KEYWORDS: Quantum-chemical calculations; Cyclophosphates; Complexation; Hydrolysis
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| Copy the following to cite this article: Niyazbekova A. B, Akatyev N. V, Shakirov T. A. Quantum-Chemical Modeling of Equilibrium State of Systems Cyclotri-, Tetra-, Penta-and Hexaphosphates with di-and Trivalent Cations of p-and d-elements. Biosci Biotech Res Asia 2014;11(spl.edn.2) |
| Copy the following to cite this URL: Niyazbekova A. B, Akatyev N. V, Shakirov T. A. Quantum-Chemical Modeling of Equilibrium State of Systems Cyclotri-, Tetra-, Penta-and Hexaphosphates with di-and Trivalent Cations of p-and d-elements. Biosci Biotech Res Asia 2014;11(spl.edn.2). Available from:https://www.biotech-asia.org/?p=12022 |
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