Gibbs energies of protonation and complexation of platinum and vanadate metal ions with naringenin and phenolic acids: Theoretical calculations associated with experimental values
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- 作者：Ahmed E. Fazarya ; b ; aefazary@gmail.com" class="auth_mail" title="E-mail the corresponding author ; afazary@kku.edu.sa" class="auth_mail" title="E-mail the corresponding author ; Ayed S. Alshihria ; Mohammad Y. Alfaific ; Kamel A. Salehc ; Serag Eldin I. Elbehairib ; Khaled F. Fawya ; Hisham S.M. Abd-Rabboha ; d
- 关键词：Naringenin ; Phenolic acids ; Complex stability constants ; Gibbs energies
- 刊名：Journal of Chemical Thermodynamics
- 出版年：2016
- 出版时间：September 2016
- 年：2016
- 卷：100
- 期：Complete
- 页码：7-21
- 全文大小：1917 K
文摘
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The experimental thermodynamic equilibrium and stability constants of vanadium and platinum complexes involving naringin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined.
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The theoretical calculations of the free energy changes associated with the ligand protonation, and metal ion–ligand complex formation equilibria using density function theory calculations, providing a complete picture of the microscopic equilibria of the studied complex systems.