Two novel thorium organic frameworks constructed by bi-and tritopic ligands
文献类型：期刊论文
| 作者 | Lan, JH ; Wang, CZ; Chen, F; Chai ZF(柴之芳); Chen F(陈飞); Wang CZ(王聪芝); Lan JH(蓝建慧); Chai, ZF; Ji, YQ
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| 刊名 | RADIOCHIMICA ACTA
 |
| 出版日期 | 2017 |
| 卷号 | 105期号:7页码:531-539 |
| 关键词 | Thorium actinide metal organic frameworks density functional theory spent nuclear fuel reprocessing |
| ISSN号 | 0033-8230 |
| DOI | 10.1515/ract-2015-2484 |
| 文献子类 | Article |
| 英文摘要 | Two thorium organic frameworks, Th(BDC)(2) and Th(OH)(BCPBA) have been hydrothermally synthesized using 1,4-benzenedicarboxylic acid (H2BDC) and 3,5-bi(4-carboxyphenoxy) benzoic acid (H(3)BCPBA), respectively. The obtained two compounds were determined by single-crystal XRD, and they exhibited two new topologies. Th(BDC)(2) shows a 3-dimensional (4,4,8)-connected framework with the Schlafli symbol of (4(14) . 6(12) . 8(2)) (4(2) . 6(3) . 8)(4(4) . 6(2)), and it is a mononuclear thorium(IV) complex. Th(OH)(BCPBA) possesses a (4,6)-connected topology with the Schlafli symbol of (4(15)) 2(4(6))(3), and it has a dinuclear thorium(IV) asymmetric unit with the shortest Th-Th distances. Viewing along suitable directions, channels with different shapes can be found in the obtained two frameworks. Based on calculation with PLATON, the amount of void space is 21.9% and 13.5% in Th(BDC)(2) and Th(OH)(BCPBA), respectively. Density functional theory (DFT) studies revealed that the metal-ligand interactions were mainly of ionic character in both compounds and the hydroxyl ions might play an important role in the stability of dinuclear thorium(IV) of Th(OH)(BCPBA). |
| WOS关键词 | LANTHANIDE ; URANIUM ; CHEMISTRY ; SYSTEMS ; PSEUDOPOTENTIALS ; COMPLEXES ; ACTINIDES ; DENSITY ; SOLIDS ; SETS |
| WOS研究方向 | Chemistry ; Nuclear Science & Technology |
| 语种 | 英语 |
| WOS记录号 | WOS:000405324600003 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/284979]  |
| 专题 | 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 | Lan, JH,Wang, CZ,Chen, F,et al. Two novel thorium organic frameworks constructed by bi-and tritopic ligands[J]. RADIOCHIMICA ACTA,2017,105(7):531-539. |
| APA | Lan, JH.,Wang, CZ.,Chen, F.,柴之芳.,陈飞.,...&Ji, YQ.(2017).Two novel thorium organic frameworks constructed by bi-and tritopic ligands.RADIOCHIMICA ACTA,105(7),531-539. |
| MLA | Lan, JH,et al."Two novel thorium organic frameworks constructed by bi-and tritopic ligands".RADIOCHIMICA ACTA 105.7(2017):531-539. |
入库方式： OAI收割
来源：高能物理研究所
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