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

被引：1

作者：

Meng, Dechao ^{[1
,2
]}

Pu, Ning ^{[1
,2
]}

Mei, Lei ^{[3
]}

Sun, Taoxiang ^{[1
,2
]}

Xu, Lei ^{[1
,2
]}

Shi, Weiqun ^{[3
]}

Chen, Jing ^{[1
,2
]}

Xu, Chao ^{[1
,2
]}

机构：

[1] Tsinghua Univ, Inst Nucl & New Energy Technol, Collaborat Innovat Ctr Adv Nucl Energy Technol, Beijing 100084, Peoples R China

[2] Tsinghua Univ, Key Lab Radioact Waste Treatment, Beijing 100084, Peoples R China

[3] Chinese Acad Sci, Inst High Energy Phys, Lab Nucl Energy Chem, Beijing 100049, Peoples R China

来源：

JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY | 2018年 / 317卷 / 01期

基金：

中国国家自然科学基金;

关键词：

Uranyl; Diphenyldithiophosphinate; Complexation; Coordination mode; ELECTRONIC-STRUCTURE; URANYL COMPLEXES; DITHIOPHOSPHINATE COMPLEXES; IONIC LIQUID; URANIUM; EXTRACTION; SEPARATION; COORDINATION; CYANEX-301; ACTINIDE;

D O I：

10.1007/s10967-018-5844-y

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

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.

引用

页码：121 / 129

页数：9

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