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Influence of complexing species on the extraction of trivalent actinides from lanthanides with CyMe4CBTBP: a theoretical study
Lan JH(蓝建慧); Wu QY(吴群燕); Wang CZ(王聪芝); Chai ZF(柴之芳); Shi WQ(石伟群); Lan, Jian-Hui; Wu, Qun-Yan; Wang, Cong-Zhi; Chai, Zhi-Fang; Shi, Wei-Qun; Lan, JH; Wu, QY; Wang, CZ; Chai, ZF; Shi, WQ
2018
Source PublicationJOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
ISSN0236-5731
EISSN1588-2780
Volume318Issue:3Pages:1453-1463
SubtypeArticle
AbstractWe studied geometric and electronic structures as well as thermodynamic properties of complexes [M(CyMe4-BTBP)(2)(NO3)](2+) and [M(CyMe4-BTBP)(2)](3+) with M=Am(III), Cm(III) and Ln(III) (La-Lu) theoretically. The actinide-nitrogen bonding is principally ionic with higher covalency in An-N bonds than in the Ln-N analogues. The selectivity towards An(III) over Ln(III) (La, Ce, Pr, Pm, Sm, Eu and Yb) is influenced by formed complexes to different extents by comparison of changes of Gibbs free energy of reaction, G(Am/Ln), for formation of [AmL2](3+)/[LnL(2)](3+), [AmL2(NO3)](2+)/[LnL(2)(NO3)](2+), and [AmL2(NO3)](2+)/[LnL(2)](3+). The Am(III) selectivity is enhanced for [AmL2(NO3)](2+)/[LnL(2)](3+) over [AmL2](3+)/[LnL(2)](3+).
KeywordActinides Lanthanides Separation Extraction Density functional theory
DOI10.1007/s10967-018-6263-9
WOS KeywordTETRADENTATE NITROGEN LIGANDS ; SEGMENTED CONTRACTION SCHEME ; SOLVENT-EXTRACTION ; SEPARATION ; COVALENCY ; AMERICIUM(III) ; COMPLEXATION ; ENERGY ; BTBP ; SELECTIVITY
Indexed BySCI
Language英语
WOS Research AreaChemistry ; Nuclear Science & Technology
WOS SubjectChemistry, Analytical ; Chemistry, Inorganic & Nuclear ; Nuclear Science & Technology
WOS IDWOS:000451746300002
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ihep.ac.cn/handle/311005/287013
Collection多学科研究中心
Corresponding AuthorShi WQ(石伟群)
Affiliation中国科学院高能物理研究所
First Author AffilicationInstitute of High Energy
Corresponding Author AffilicationInstitute of High Energy
Recommended Citation
GB/T 7714
Lan JH,Wu QY,Wang CZ,et al. Influence of complexing species on the extraction of trivalent actinides from lanthanides with CyMe4CBTBP: a theoretical study[J]. JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,2018,318(3):1453-1463.
APA 蓝建慧.,吴群燕.,王聪芝.,柴之芳.,石伟群.,...&Shi, WQ.(2018).Influence of complexing species on the extraction of trivalent actinides from lanthanides with CyMe4CBTBP: a theoretical study.JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,318(3),1453-1463.
MLA 蓝建慧,et al."Influence of complexing species on the extraction of trivalent actinides from lanthanides with CyMe4CBTBP: a theoretical study".JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY 318.3(2018):1453-1463.
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