| 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
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| 2018 | |
| Source Publication | JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
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| ISSN | 0236-5731 |
| EISSN | 1588-2780 |
| Volume | 318Issue:3Pages:1453-1463 |
| Subtype | Article |
| Abstract | We 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+). |
| Keyword | Actinides Lanthanides Separation Extraction Density functional theory |
| DOI | 10.1007/s10967-018-6263-9 |
| WOS Keyword | TETRADENTATE NITROGEN LIGANDS ; SEGMENTED CONTRACTION SCHEME ; SOLVENT-EXTRACTION ; SEPARATION ; COVALENCY ; AMERICIUM(III) ; COMPLEXATION ; ENERGY ; BTBP ; SELECTIVITY |
| Indexed By | SCI |
| Language | 英语 |
| WOS Research Area | Chemistry ; Nuclear Science & Technology |
| WOS Subject | Chemistry, Analytical ; Chemistry, Inorganic & Nuclear ; Nuclear Science & Technology |
| WOS ID | WOS:000451746300002 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ihep.ac.cn/handle/311005/287013 |
| Collection | 多学科研究中心 |
| Corresponding Author | Shi WQ(石伟群) |
| Affiliation | 中国科学院高能物理研究所 |
| First Author Affilication | Institute of High Energy |
| Corresponding Author Affilication | Institute 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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