4.7 Article

Structure and spectroscopic study of aqueous Fe(III)-As(V) complexes using UV-Vis, XAS and DFT-TDDFT

期刊

CHEMOSPHERE
卷 182, 期 -, 页码 595-604

出版社

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.chemosphere.2017.05.018

关键词

Fe(III)-As(V) complexes; UV-Vis spectra; XAS; DFT-TDDFT

资金

  1. Key Project of National Natural Science Foundation of China [51634010]
  2. National Natural Science Foundation of China [51304251]
  3. Special Program on Environmental Protection for Public Welfare [201509050]
  4. National Synchrotron Radiation Research Center (NSRRC, Hsinchu, Taiwan) [2016-2-076-2, 2016-2-077-2]
  5. Beijing Synchrotron Radiation Facility (BSRF)

向作者/读者索取更多资源

Aqueous complexes between ferric (Fe(III)) and arsenate (As(V)) are indispensable for understanding the mobility of arsenic (As) in Fe(III)-As(V)-rich systems. In this study, aqueous Fe(III)-As(V) complexes, FeH2AsO42+ and FeHAsO4+, were postulated based on the qualitative analysis of UV-Vis spectra in both Fe(III)-As(V)-HClO4 and Fe(III)-As(V)-H2SO4 systems. Subsequently, monodentate structures were evidenced by Fe K-edge EXAFS and modeled as [FeH2AsO4(H2O)(5)](2+) and [FeHAsO4(H2O)(5)](+) by DFT. The feature band at similar to 280 nm was verified as electron excitation chiefly from Fe-As-bridged O atoms to d-orbital of Fe in [FeH2AsO4(H2O)(5)](2+) and [FeHAsO4(H2O)(5)](+). The structural and spectral information of Fe(III)-As(V) complexes will enable future speciation analysis in Fe(III)-As(V)-rich system. (C) 2017 Published by Elsevier Ltd.

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