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

被引：68

作者：

Fujii, Toshiyuki ^{[1
]}

Moynier, Frederic ^{[2
,3
]}

Telouk, Philippe ^{[4
]}

Abe, Minori ^{[5
]}

机构：

[1] Kyoto Univ, Inst Res Reactor, Kumatori, Sennan Osaka 5900494, Japan

[2] Washington Univ, Dept Earth & Planetary Sci, St Louis, MO 63130 USA

[3] Kyoto Univ, McDonnell Ctr Space Sci, Kumatori, Sennan Osaka 5900494, Japan

[4] Ecole Normale Super Lyon, CNRS, UMR 5570, Lab Sci Terre, F-69364 Lyon 7, France

[5] Tokyo Metropolitan Univ, Grad Sch Sci & Engn, Dept Chem, Hachioji, Tokyo 1920397, Japan

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2010年 / 114卷 / 07期

关键词：

EFFECTIVE CORE POTENTIALS; CONSISTENT-FIELD CALCULATIONS; GAUSSIAN-BASIS SETS; AQUEOUS-SOLUTION; MOLECULAR CALCULATIONS; LIQUID-CHROMATOGRAPHY; MASS-SPECTROMETRY; NUCLEAR SIZE; SEPARATION; RAMAN;

D O I：

10.1021/jp908642f

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 Zn-m/Zn-64 ratios (m = 66, 67, and 68) were analyzed by multiple-collector inductively coupled plasma mass spectrometry. The relative deviations of the Zn-66/Zn-64 ratios relative to the unprocessed material (delta Zn-66) 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 Zn-m was explained by the isotope exchange reactions between Zn(II) species (Zn2+, ZnCl+, ZnCl2, ZnCl3-, and ZnCl42-) and the mole fractions of them. The magnitude of delta Zn-m due to the related Zn(II) species estimated by quantum chemical calculations was in agreement with delta Zn-m experimentally obtained. Contribution of nuclear field shift to the isotope fractionation was estimated to be less than 10% of delta Zn-m by quantum chemical calculations.

引用

页码：2543 / 2552

页数：10

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