IHEP OpenIR  > 院士
Complexation Behavior of Eu(III) and Am(III) with CMPO and Ph2CMPO Ligands: Insights from Density Functional Theory
Wang CZ(王聪芝); Shi WQ(石伟群); 蓝建慧Wang, CZ; Shi, WQ; Lan, JH; Zhao, YL; Wei, YZ; Chai, ZF; Zhao YL(赵宇亮); Chai ZF(柴之芳)
2013
Source PublicationINORGANIC CHEMISTRY
ISSN0020-1669
EISSN1520-510X
Volume52Issue:19Pages:10904-10911
AbstractA series of extraction complexes of Eu(III) and Am(III) with CMPO (n-octyl(phenyl)-N,N-diisobutyl-methylcarbamoyl phosphine oxide) and its derivative Ph2CMPO (diphenyl-N,N-diisobutyl carbamoyl phosphine oxide) have been studied using density functional theory (DFT). It has been found that for the neutral complexes of 2:1 and 3:1 (ligand/metal) stoichiometry, CMPO and Ph2CMPO predominantly coordinate with metal cations through the phosphoric oxygen atoms. Eu(III) and Am (III) prefer to form the neutral 2:1 and 3:1 type complexes in nitrate-rich acid solutions, and in the extraction process the reactions of [M(NO3)(H2O)(7)](2+) + 2NO(3)(-) + nL -> MLn(NO3)(3) + 7H(2)O (M = Eu, Am; n = 2, 3) are the dominant complexation reactions. In addition, CMPO and Ph2CMPO show similar extractability properties. Taking into account the solvation effects, the metal-ligand binding energies are obviously decreased, i.e., the presence of solvent may have an significant effect on the extraction behavior of Eu(III) and Am(III) with CMPOs. Moreover, these CMPOs reagents have comparable extractability for Eu(III) and Am(111), confirming that these extractants have little lanthanide/actinide selectivity in acidic media.
Subject AreaChemistry
DOI10.1021/ic400895d
Indexed BySCI
Language英语
WOS IDWOS:000326319800031
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ihep.ac.cn/handle/311005/224325
Collection院士
多学科研究中心
Recommended Citation
GB/T 7714
Wang CZ,Shi WQ,蓝建慧Wang, CZ,et al. Complexation Behavior of Eu(III) and Am(III) with CMPO and Ph2CMPO Ligands: Insights from Density Functional Theory[J]. INORGANIC CHEMISTRY,2013,52(19):10904-10911.
APA 王聪芝.,石伟群.,蓝建慧Wang, CZ.,Shi, WQ.,Lan, JH.,...&柴之芳.(2013).Complexation Behavior of Eu(III) and Am(III) with CMPO and Ph2CMPO Ligands: Insights from Density Functional Theory.INORGANIC CHEMISTRY,52(19),10904-10911.
MLA 王聪芝,et al."Complexation Behavior of Eu(III) and Am(III) with CMPO and Ph2CMPO Ligands: Insights from Density Functional Theory".INORGANIC CHEMISTRY 52.19(2013):10904-10911.
Files in This Item:
File Name/Size DocType Version Access License
7764.pdf(1439KB)期刊论文作者接受稿限制开放CC BY-NC-SAApplication Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[王聪芝]'s Articles
[石伟群]'s Articles
[蓝建慧Wang, CZ]'s Articles
Baidu academic
Similar articles in Baidu academic
[王聪芝]'s Articles
[石伟群]'s Articles
[蓝建慧Wang, CZ]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[王聪芝]'s Articles
[石伟群]'s Articles
[蓝建慧Wang, CZ]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

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