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Experimental and Theoretical Investigation of Isotope Fractionation of Zinc between Aqua, Chloro, and Macrocyclic Complexes

Toshiyuki Fujii 1, * Frédéric Moynier 2, 3 Philippe Telouk 4 M. Abe 5
* Corresponding author
1 Research Reactor Institute
2 Department of Earth and Planetary Sciences [St Louis]
3 McDonnell Center for Space Sciences
4 LST - Laboratoire de Sciences de la Terre
5 Graduate School of Science and Engineering
Abstract : This work reports on the chemical isotope fractionation of Zn(II) by a solvent extraction method with the crown ether dicyclohexano-18-crown-6. The (m)Zn/(64)Zn ratios (m = 66, 67, and 68) were analyzed by multiple-collector inductively coupled plasma mass spectrometry. The relative deviations of the (66)Zn/(64)Zn ratios relative to the unprocessed material (delta(66)Zn) was determined to be -0.51 to -0.32 in the acidity region 1.0-6.0 mol dm(-3) (M) HCl. The acidity dependence or delta(m)Zn was explained by the isotope exchange reactions between Zn(II) species (Zn(2+), ZnCl(+), ZnCl(2), ZnCl(3)(-), and ZnCl(4)(2-)) and the mole fractions of them. The magnitude of delta(m)Zn due to the related Zn(II) species estimated by quantum chemical calculations was in agreement with delta(m)Zn experimentally obtained. Contribution of nuclear field shift to the isotope fractionation was estimated to be less than 10% of delta(m)Zn by quantum chemical calculations.
Keywords : EFFECTIVE CORE POTENTIALS CONSISTENT-FIELD CALCULATIONS HYDROCHLORIC-ACID SOLUTIONS ABSORPTION FINE-STRUCTURE TRANSITION-METAL ATOMS GAUSSIAN-BASIS SETS X-RAY-DIFFRACTION BENZO CROWN RESIN AQUEOUS-SOLUTION MOLECULAR CALCULATIONS
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Submitted on : Thursday, March 22, 2012 - 11:16:46 AM
Last modification on : Tuesday, February 18, 2020 - 3:42:02 PM

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Toshiyuki Fujii, Frédéric Moynier, Philippe Telouk, M. Abe. Experimental and Theoretical Investigation of Isotope Fractionation of Zinc between Aqua, Chloro, and Macrocyclic Complexes. The Journal of physical chemistry, American Chemical Society (ACS), 2010, 114 (7), pp.2543-2552. ⟨10.1021/jp908642f⟩. ⟨insu-00681729⟩

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