Coordination Structure and Fragmentation Chemistry of the Tripositive Lanthanide-Thio-Diglycolamide Complexes
文献类型：期刊论文
| 作者 | Chen, XT; Li, QN; Gong, Y |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2017 |
| 卷号 | 121期号:49页码:9429-9434 |
| 关键词 | MOLECULAR-ORBITAL METHODS BASIS-SETS NITRATE COMPLEXATION ACTINIDE SEPARATIONS SOLVENT-EXTRACTION METAL-ION DISSOCIATION ELEMENTS LIGANDS AM |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/acs.jpca.7b08094 |
| 文献子类 | 期刊论文 |
| 英文摘要 | Tripositive Ln(TMTDA)(3)(3+) complexes (Ln = La-Lu except Pm, TMTDA = tetramethyl 3-thio-diglycolamide) were observed in the gas phase by electrospray ionization of LnCl(3) and TMTDA mixtures. Collision-induced dissociation (CID) was employed to investigate their fragmentation chemistry, which revealed the influence of metal center as well as ligand on the ligated complexes. Ln(TMTDA)(2)(TMTDA-45)(3+) resulting from C-carbonyl-N bond cleavage of TMTDA and hydrogen transfer was the major CID product for all Ln(TMTDA)(3)(3+) except Eu(TMTDA)(3)(3+), which predominantly formed charge-reducing product Eu-II(TMTDA)(2)(2+), via electron transfer from TMTDA to Eu3+. Density functional theory calculations on the structure of La(TMTDA)(3)(3)+ and Lu(TMTDA)(3)(3+) revealed that Ln(3+) was coordinated by six O-carbonyl atoms from three neutral TMTDA ligands, and both complexes possessed C-3h symmetry. The S-ether atom deviating from the ligand plane was not coordinated to the metal center. On the basis of the CID results of Ln(TMTDA)(3)(3+), Ln(TMGA)(3)(3+), and Ln(TMOGA)(3)(3+), the fragmentation chemistry associated with the ligand depends on the coordination mode, while the redox chemistry of these tripositive ions is related to the nature of both metal centers and diamide ligands. |
| 语种 | 英语 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/30887]  |
| 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, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, XT,Li, QN,Gong, Y. Coordination Structure and Fragmentation Chemistry of the Tripositive Lanthanide-Thio-Diglycolamide Complexes[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2017,121(49):9429-9434. |
| APA | Chen, XT,Li, QN,&Gong, Y.(2017).Coordination Structure and Fragmentation Chemistry of the Tripositive Lanthanide-Thio-Diglycolamide Complexes.JOURNAL OF PHYSICAL CHEMISTRY A,121(49),9429-9434. |
| MLA | Chen, XT,et al."Coordination Structure and Fragmentation Chemistry of the Tripositive Lanthanide-Thio-Diglycolamide Complexes".JOURNAL OF PHYSICAL CHEMISTRY A 121.49(2017):9429-9434. |
入库方式： OAI收割
来源：上海应用物理研究所
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