Insights into the new 3d-5f heterometallic quaternary fluorides: Synthesis, crystal structures, spectroscopic properties, and thermodynamic stability
文献类型：期刊论文
| 作者 | Liu, Q; Yin, HQ; Bao, HL; Yue, ZH; Diefenbach, K; Tang, ZF; Lin, J; Wang, JQ |
| 刊名 | INORGANICA CHIMICA ACTA
 |
| 出版日期 | 2019 |
| 卷号 | 487期号:-页码:362—368 |
| 关键词 | SITU REDUCTION STEP X-RAY-DIFFRACTION MAGNETIC-PROPERTIES THORIUM SALT GROWTH URANIUM(IV) TRANSITION COMPLEXES COFFINITE |
| ISSN号 | 0020-1693 |
| DOI | 10.1016/j.ica.2018.12.038 |
| 文献子类 | 期刊论文 |
| 英文摘要 | Two new 3d-5f heterometallic quaternary fluorides, Na3CrTh6F30 and Na4NiTh6F30, have been synthesized hydrothermally from the reactions between ThF4, CrF3 or NiF2, NaF, and HF. Single crystal X-ray diffraction studies revealed that Na3CrTh6F30, and Na4NiTh6F30 adopt dense three-dimensional structures with the space group P (3) over bar c1. Surprisingly, these two compounds are isotypic and exhibit a rather unusual case of aliovalent substitution of the 3d metal centers (Cr-III <--> Ni-II) which is achieved by losing or gaining a Na+ cation in their structures. The valences of Cr-III and Ni-II have been confirmed by corroborating evidences from bond valence sum, UV-vis, and X-ray absorption near edge structure studies. Na3CrTh6F30 and Na4NiTh6F30, exhibit extraordinary thermal stability up to 500 degrees C and to 800 degrees C, respectively, and they retain their original structures in strong acids including 14.9 M HNO3 and aqua regia. First-principle calculations based on density functional theory indicat that the formation enthalpy of Na3CrTh6F30 is -118.945 kJ/mol; suggesting that Na3CrTh6F30 is thermodynamically stable under the simulated condition. This finding helps shed light on the potential products generated from corrosion or during the thorium nuclear fuel cycle. |
| 语种 | 英语 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/31674]  |
| 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 | 1.3579 NW Paisley Ct, Beaverton, OR 97006 USA 2.Chinese Acad Sci, Shanghai Inst Appl Phys, 2019 Jia Luo Rd, Shanghai 201800, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Liu, Q,Yin, HQ,Bao, HL,et al. Insights into the new 3d-5f heterometallic quaternary fluorides: Synthesis, crystal structures, spectroscopic properties, and thermodynamic stability[J]. INORGANICA CHIMICA ACTA,2019,487(-):362—368. |
| APA | Liu, Q.,Yin, HQ.,Bao, HL.,Yue, ZH.,Diefenbach, K.,...&Wang, JQ.(2019).Insights into the new 3d-5f heterometallic quaternary fluorides: Synthesis, crystal structures, spectroscopic properties, and thermodynamic stability.INORGANICA CHIMICA ACTA,487(-),362—368. |
| MLA | Liu, Q,et al."Insights into the new 3d-5f heterometallic quaternary fluorides: Synthesis, crystal structures, spectroscopic properties, and thermodynamic stability".INORGANICA CHIMICA ACTA 487.-(2019):362—368. |
入库方式： OAI收割
来源：上海应用物理研究所
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