Influence of complexing species on the extraction of trivalent actinides from lanthanides with CyMe4CBTBP: a theoretical study
文献类型：期刊论文
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| 作者 | 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
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| 刊名 | JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
 ; JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
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| 出版日期 | 2018 ; 2018 |
| 卷号 | 318期号:3页码:1453-1463 |
| 关键词 | Actinides Actinides Lanthanides Separation Extraction Density functional theory Lanthanides Separation Extraction Density functional theory |
| ISSN号 | 0236-5731 ; 0236-5731 |
| DOI | 10.1007/s10967-018-6263-9 ; 10.1007/s10967-018-6263-9 |
| 文献子类 | Article ; Article |
| 英文摘要 | 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+).; 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+). |
| 电子版国际标准刊号 | 1588-2780 ; 1588-2780 |
| WOS关键词 | TETRADENTATE NITROGEN LIGANDS ; TETRADENTATE NITROGEN LIGANDS ; SEGMENTED CONTRACTION SCHEME ; SOLVENT-EXTRACTION ; SEPARATION ; COVALENCY ; AMERICIUM(III) ; COMPLEXATION ; ENERGY ; BTBP ; SELECTIVITY ; SEGMENTED CONTRACTION SCHEME ; SOLVENT-EXTRACTION ; SEPARATION ; COVALENCY ; AMERICIUM(III) ; COMPLEXATION ; ENERGY ; BTBP ; SELECTIVITY |
| WOS研究方向 | Chemistry ; Chemistry ; Nuclear Science & Technology ; Nuclear Science & Technology |
| 语种 | 英语 ; 英语 |
| WOS记录号 | WOS:000451746300002 ; WOS:000451746300002 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/287013]  |
| 专题 | 高能物理研究所_多学科研究中心 |
| 通讯作者 | Shi WQ(石伟群) |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 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, Influence of complexing species on the extraction of trivalent actinides from lanthanides with CyMe4CBTBP: a theoretical study[J]. JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY, JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,2018, 2018,318, 318(3):1453-1463, 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. |
入库方式： OAI收割
来源：高能物理研究所
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