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

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成果类型：

期刊论文

作者：

Chai, Liyuan;Yang, Jinqin;Zhang, Ning;Wu, Pin-Jiun;Li, Qingzhu*;...

通讯作者：

Li, Qingzhu

作者机构：

[Yang, Jinqin; Li, Qingzhu; Wang, Qingwei; Liu, Hui; Chai, Liyuan] Cent S Univ, Sch Met & Environm, Changsha 410083, Hunan, Peoples R China.

[Li, Qingzhu; Wang, Qingwei; Liu, Hui; Chai, Liyuan] Chinese Natl Engn Res Ctr Control & Treatment Hea, Changsha 410083, Hunan, Peoples R China.

[Zhang, Ning] Cent South Univ Forestry & Technol, Coll Sci, Changsha 410004, Hunan, Peoples R China.

[Wu, Pin-Jiun] Natl Synchrotron Radiat Res Ctr, Ind Applicat Grp, Hsinchu 30076, Taiwan.

[Yi, Haibo] Hunan Univ, Coll Chem & Chem Engn, State Key Lab Chemo Biosensing & Chemometr, Changsha 410082, Hunan, Peoples R China.

通讯机构：

[Li, Qingzhu] C

Cent S Univ, Sch Met & Environm, Changsha 410083, Hunan, Peoples R China.

语种：

英文

关键词：

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

期刊：

Chemosphere

ISSN：

0045-6535

年：

2017

卷：

182

期：

Sep.

页码：

595-604

DOI：

10.1016/j.chemosphere.2017.05.018

基金类别：

This work was supported by the Key Project of National Natural Science Foundation of China (51634010), National Natural Science Foundation of China (51304251) and Special Program on Environmental Protection for Public Welfare (201509050). The authors appreciate support from Beamline 07A1 at the National Synchrotron Radiation Research Center (NSRRC, Hsinchu, Taiwan) (2016-2-076-2 and 2016-2-077-2) and Beamline 1W1B at the Beijing Synchrotron Radiation Facility (BSRF).

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本校为其他机构

院系归属：

理学院

摘要：

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-bri...

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

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