CAS OpenIR  > 中科院上海应用物理研究所2011-2018年
Extended X-ray Absorption Fine Structure and Density Functional Theory Studies on the Complexation Mechanism of Amidoximate Ligand to Uranyl Carbonate
Zhang, LJ; Su, J; Yang, ST; Guo, XJ; Jia, YP; Chen, N; Zhou, J; Zhang, S; Wang, S; Li, J; Li, JY; Wu, GZ; Wang, JQ; Wang, JQ (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
2016
Source PublicationINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN0888-5885
Volume55Issue:15Pages:4224—4230
Subtype期刊文献
AbstractTo shed some light on the uranium extraction mechanism of amidoximate (AO) ligands from uranyl carbonate solution, we present experimental data taken using extended X-ray absorption fine structure at the U L-3 edge and theoretical calculation results. The EXAFS data were well simulated and confessedly shows that AO ligands directly substitute the CO32- group in the equatorial plane to form a stable [UO2(CO3)(3-x)(AO)(x)]((4-x)-) complex. Density functional theory calculation indicates that although they have a slightly weaker electrostatic attraction than CO32- ligands, AO ligands display stronger binding capability to uranyl because of the remarkable orbital hybridization between U 5f/6d and (N,O)2p in the uranyl-AO complex. This finding provides strong evidence supporting the substitutional mechanism, which implies that cationic adsorbents are preferred in the further design of higher efficient adsorbents, and furthermore highlights the crucial role of the covalent effect in the extraction process.
KeywordAqueous-solution Molecular-energies Uranium Seawater Coordination Recovery Spectroscopy Extraction Adsorbent Spectra
DOI10.1021/acs.iecr.5b03217
Indexed BySCI
Language英语
WOS IDWOS:000374812400016
Citation statistics
Cited Times:18[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/25722
Collection中科院上海应用物理研究所2011-2018年
Corresponding AuthorWu, GZ; Wang, JQ (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
Recommended Citation
GB/T 7714
Zhang, LJ,Su, J,Yang, ST,et al. Extended X-ray Absorption Fine Structure and Density Functional Theory Studies on the Complexation Mechanism of Amidoximate Ligand to Uranyl Carbonate[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2016,55(15):4224—4230.
APA Zhang, LJ.,Su, J.,Yang, ST.,Guo, XJ.,Jia, YP.,...&Wang, JQ .(2016).Extended X-ray Absorption Fine Structure and Density Functional Theory Studies on the Complexation Mechanism of Amidoximate Ligand to Uranyl Carbonate.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,55(15),4224—4230.
MLA Zhang, LJ,et al."Extended X-ray Absorption Fine Structure and Density Functional Theory Studies on the Complexation Mechanism of Amidoximate Ligand to Uranyl Carbonate".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 55.15(2016):4224—4230.
Files in This Item: Download All
File Name/Size DocType Version Access License
Extended X-ray Absor(2491KB)期刊论文作者接受稿开放获取CC BY-NC-SAView Download
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang, LJ]'s Articles
[Su, J]'s Articles
[Yang, ST]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang, LJ]'s Articles
[Su, J]'s Articles
[Yang, ST]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang, LJ]'s Articles
[Su, J]'s Articles
[Yang, ST]'s Articles
Terms of Use
No data!
Social Bookmark/Share
File name: Extended X-ray Absorption Fine Structure and Density Functional Theory Studies on the Complexation Mechanism of Amidoximate Ligand to Uranyl Carbonate.pdf
Format: Adobe PDF
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.