Complexation of U(VI) with diphenyldithiophosphinic acid: spectroscopy, structure and DFT calculations

doi:10.1007/s10967-018-5844-y

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	Complexation of U(VI) with diphenyldithiophosphinic acid: spectroscopy, structure and DFT calculations
	Xu, C; Shi, WQ; Chen, J; Xu, L; Sun, TX; Mei, L; Shi WQ(石伟群); Mei L(梅雷); Pu, N; Meng, DC
刊名	JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
	2018
卷号	317 期号:1 页码:121-129
关键词	Uranyl Diphenyldithiophosphinate Complexation Coordination mode
ISSN号	0236-5731
DOI	10.1007/s10967-018-5844-y
文献子类	Article
英文摘要	The complexation of U(VI) with diphenyldithiophosphinic acid (denoted as HL) in acetonitrile was studied by UV-Vis, FT-IR, crystallography and DFT calculations. UV-Vis absorption spectrophotometry implies that three successive complexes, UO2L+, UO2L2, UO2L3 (-), form in the solution. Significant ligand to metal charge transfer occurs from soft atom S to U(VI) in all the three complexes. A crystal of UO2L2 complex was successfully synthesized from the solution. In the crystal both the two ligands coordinate to U(VI) in bidentate form. DFT calculations confirm the formation of UO2L3 (-) complex and help illustrate the structures of all the U(VI) species in the solution.
电子版国际标准刊号	1588-2780
WOS关键词	PURIFIED CYANEX 301 ; ELECTRONIC-STRUCTURE ; URANYL COMPLEXES ; DITHIOPHOSPHINATE COMPLEXES ; NITRATE MEDIUM ; IONIC LIQUID ; ACTINYL IONS ; EXTRACTION ; URANIUM ; SEPARATION
WOS研究方向	Chemistry ; Nuclear Science & Technology
语种	英语
WOS记录号	WOS:000435823100013
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/286043]
专题	中国科学院高能物理研究所_中国散裂中子源高能物理研究所_实验物理中心高能物理研究所_加速器中心高能物理研究所_多学科研究中心
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	Xu, C,Shi, WQ,Chen, J,et al. Complexation of U(VI) with diphenyldithiophosphinic acid: spectroscopy, structure and DFT calculations[J]. JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,2018,317(1):121-129.
APA	Xu, C.,Shi, WQ.,Chen, J.,Xu, L.,Sun, TX.,...&Meng, DC.(2018).Complexation of U(VI) with diphenyldithiophosphinic acid: spectroscopy, structure and DFT calculations.JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,317(1),121-129.
MLA	Xu, C,et al."Complexation of U(VI) with diphenyldithiophosphinic acid: spectroscopy, structure and DFT calculations".JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY 317.1(2018):121-129.