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Experimental and DFT Study on the Complexation of Zn2+ with Valinomycin

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Published/Copyright: September 25, 2009
Zeitschrift für Physikalische Chemie
From the journal Zeitschrift für Physikalische Chemie Volume 223 Issue 8

Abstract

From extraction experiments and γ-activity measurements, the exchange extraction constant corresponding to the equilibrium Zn2+(aq) + 1 · Sr2+(nb) ⇌ 1 · Zn2+ (nb) + Sr2+(aq) taking place in the two–phase water–nitrobenzene system (1 = valinomycin; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (Zn2+, 1 · Sr2+) = −0.2±0.1. Further, the stability constant of the valinomycin–zinc complex (abbrev. 1 · Zn2+) in nitrobenzene saturated with water was calculated for a temperature of 25oC: log βnb (1 · Zn2+) = 6.1±0.1. By using quantum mechanical DFT calculations, the most probable structure of the 1 · Zn2+ complex species was predicted. In this complex, the Zn2+ cation sits in the center of the coordination cavity formed by six ester carbonyls, which are oriented almost exactly in the “radial directions”. Finally, the calculated binding energy of the resulting complex 1 · Zn2+ is −359.5 kcal/mol confirming relatively high stability of the considered cationic complex species.

Keywords: Valinomycin; Zinc; Complexation; Stability Constant; DFT
* Correspondence address: University of West Bohemia, Faculty of Applied Sciences, Husova 11, 306 14 Pilsen, Tschechische Republik,
Published Online: 2009-9-25
Published in Print: 2009-8-1

© by Oldenbourg Wissenschaftsverlag, München, Germany

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  1. Mixed Micellization of Alkylbenzene Sulfonate Gemini Surfactant Ia and Nonionic Surfactant Triton X-100 in Aqueous Solution
  2. A NMR Relaxation Study for the Interactions of some 1-alkyl-3-methylimidazolium Ionic Liquids with Acetone
  3. Insight into the Intermolecular Interactions in Ionic Liquid-Ethanol-Water Mixtures by Near-Infrared Spectroscopy
  4. Solution Thermodynamics of some Imidazolium-based Ionic Liquids in Water and Aliphatic Alcohols
  5. Experimental and DFT Study on the Complexation of Zn2+ with Valinomycin
  6. Alkoxide Clusters in Solution: An EXAFS Study of the Example Y(OEtOMe)3 and the Degradation Induced by Structural Modifiers
  7. Mechanism Study on the Formation of Core-Shell TiO2-ATO
  8. Second Liquid – an Intermediate Phase of Sublimation
  9. Book Review
https://doi.org/10.1524/zpch.2009.5465
Keywords for this article
Valinomycin; Zinc; Complexation; Stability Constant; DFT

Articles in the same Issue

  1. Mixed Micellization of Alkylbenzene Sulfonate Gemini Surfactant Ia and Nonionic Surfactant Triton X-100 in Aqueous Solution
  2. A NMR Relaxation Study for the Interactions of some 1-alkyl-3-methylimidazolium Ionic Liquids with Acetone
  3. Insight into the Intermolecular Interactions in Ionic Liquid-Ethanol-Water Mixtures by Near-Infrared Spectroscopy
  4. Solution Thermodynamics of some Imidazolium-based Ionic Liquids in Water and Aliphatic Alcohols
  5. Experimental and DFT Study on the Complexation of Zn2+ with Valinomycin
  6. Alkoxide Clusters in Solution: An EXAFS Study of the Example Y(OEtOMe)3 and the Degradation Induced by Structural Modifiers
  7. Mechanism Study on the Formation of Core-Shell TiO2-ATO
  8. Second Liquid – an Intermediate Phase of Sublimation
  9. Book Review
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