Coordination Structures of the Uranyl(VI)-Diamide Complexes: A Combined Mass Spectrometric, EXAFS Spectroscopic, and Theoretical Study
文献类型：期刊论文
| 作者 | Chen, XT; Li, QN; Gong, Y |
| 刊名 | INORGANIC CHEMISTRY
 |
| 出版日期 | 2019 |
| 卷号 | 58期号:9页码:5695—5702 |
| 关键词 | MOLECULAR-ORBITAL METHODS URANYL-NITRATE DIGLYCOLAMIDE COMPLEXES SOLVENT-EXTRACTION CHEMISTRY URANIUM LIGANDS ION AM LANTHANUM(III) |
| ISSN号 | 0020-1669 |
| DOI | 10.1021/acs.inorgchem.9b00047 |
| 文献子类 | 期刊论文 |
| 英文摘要 | The coordination structures of a series of uranyl-diamide complexes, namely UO2 (TMGA)(2)(2+), UO2(TMGA)(2)(2+), and UO2(TMGA)(2)(2+) (TMGA: N,N,N',N'-tetramethylglutaramide; TMTDA: N,N,N',N'-tetramethyl-3-thiodiglycolamide; TMPDA: N,N,N',N'-tetramethylpyridine-2,6-dicarboxamide), in the gas phase and solution were studied by electrospray ionization (ESI) mass spectrometry, density functional theory (DFT) calculations, and extended X-ray absorption fine structure (EXAFS) spectroscopy. ESI of UO2Cl2-TMGA, UO2Cl2-TMTDA, and UO2Cl2-TMPDA solutions produced UO (2)(TMGA)(2)(2+), UO2(TMGA)(2)(2+), and UO2(TMGA)(2)(2+) as the major complexes in the gas phase. The gas-phase fragmentation patterns of these three complexes upon collision induced dissociation (CID) are quite similar, and the products arising from (CH3)(2)N-COcarbonyl, CH2-COcarbonyl, C-pyridine-COcarbonyl and CH2-CH2/S bond cleavages were identified, degradation patterns of diamides upon gamma irradiation in solution. DFT calculations revealed similar bidentate coordination modes of TMGA and TMTDA in the UO2(TMGA)(2)(2+) and UO2(TMGA)(2)(2+) complexes in the gas phase. For UO2(TMGA)(2)(2+), UO22+ is coordinated by two O-carbonyl and one N-pyridine from each TMPDA, which acts as a tridentate ligand. The results from EXAFS analysis indicate that the coordination structures of UO2 (TMGA)(2)(2+), UO2(TMGA)(2)(2+), and UO2(TMGA)(2)(2+)in solution are similar to those in the gas phase. |
| 语种 | 英语 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/31529]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Appl Phys, Dept Radiochem, Shanghai 201800, Peoples R China; 2.Univ Chinese Acad Sci, Sch Nucl Sci & Technol, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, XT,Li, QN,Gong, Y. Coordination Structures of the Uranyl(VI)-Diamide Complexes: A Combined Mass Spectrometric, EXAFS Spectroscopic, and Theoretical Study[J]. INORGANIC CHEMISTRY,2019,58(9):5695—5702. |
| APA | Chen, XT,Li, QN,&Gong, Y.(2019).Coordination Structures of the Uranyl(VI)-Diamide Complexes: A Combined Mass Spectrometric, EXAFS Spectroscopic, and Theoretical Study.INORGANIC CHEMISTRY,58(9),5695—5702. |
| MLA | Chen, XT,et al."Coordination Structures of the Uranyl(VI)-Diamide Complexes: A Combined Mass Spectrometric, EXAFS Spectroscopic, and Theoretical Study".INORGANIC CHEMISTRY 58.9(2019):5695—5702. |
入库方式： OAI收割
来源：上海应用物理研究所
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