Two novel thorium organic frameworks constructed by bi-and tritopic ligands

doi:10.1515/ract-2015-2484

	Two novel thorium organic frameworks constructed by bi-and tritopic ligands
	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
刊名	RADIOCHIMICA ACTA
	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
内容类型	期刊论文
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.