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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
2017
Source PublicationRADIOCHIMICA ACTA
ISSN0033-8230
Volume105Issue:7Pages:531-539
SubtypeArticle
AbstractTwo 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).
KeywordThorium actinide metal organic frameworks density functional theory spent nuclear fuel reprocessing
DOI10.1515/ract-2015-2484
WOS KeywordLANTHANIDE ; URANIUM ; CHEMISTRY ; SYSTEMS ; PSEUDOPOTENTIALS ; COMPLEXES ; ACTINIDES ; DENSITY ; SOLIDS ; SETS
Indexed BySCI ; SCOPUS
Language英语
WOS Research AreaChemistry ; Nuclear Science & Technology
WOS SubjectChemistry, Inorganic & Nuclear ; Nuclear Science & Technology
WOS IDWOS:000405324600003
Citation statistics
Document Type期刊论文
Identifierhttp://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 AffilicationInstitute 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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