| Two novel thorium organic frameworks constructed by bi-and tritopic ligands | |
Chen F(陈飞) ; Wang CZ(王聪芝); Lan JH(蓝建慧); Chai ZF(柴之芳); Chen, F; Wang, CZ; Lan, JH; Ji, YQ; Chai, ZF
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| 2017 | |
| Source Publication | RADIOCHIMICA ACTA
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| ISSN | 0033-8230 |
| Volume | 105Issue:7Pages:531-539 |
| Subtype | Article |
| Abstract | 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). |
| Keyword | Thorium actinide metal organic frameworks density functional theory spent nuclear fuel reprocessing |
| DOI | 10.1515/ract-2015-2484 |
| WOS Keyword | LANTHANIDE ; URANIUM ; CHEMISTRY ; SYSTEMS ; PSEUDOPOTENTIALS ; COMPLEXES ; ACTINIDES ; DENSITY ; SOLIDS ; SETS |
| Indexed By | SCI ; SCOPUS |
| Language | 英语 |
| WOS Research Area | Chemistry ; Nuclear Science & Technology |
| WOS Subject | Chemistry, Inorganic & Nuclear ; Nuclear Science & Technology |
| WOS ID | WOS:000405324600003 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ihep.ac.cn/handle/311005/284979 |
| Collection | 多学科研究中心 |
| Affiliation | 中国科学院高能物理研究所 |
| First Author Affilication | Institute of High Energy |
| Recommended Citation GB/T 7714 | Chen F,Wang CZ,Lan JH,et al. Two novel thorium organic frameworks constructed by bi-and tritopic ligands[J]. RADIOCHIMICA ACTA,2017,105(7):531-539. |
| APA | 陈飞.,王聪芝.,蓝建慧.,柴之芳.,Chen, F.,...&Chai, ZF.(2017).Two novel thorium organic frameworks constructed by bi-and tritopic ligands.RADIOCHIMICA ACTA,105(7),531-539. |
| MLA | 陈飞,et al."Two novel thorium organic frameworks constructed by bi-and tritopic ligands".RADIOCHIMICA ACTA 105.7(2017):531-539. |
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