| Two novel thorium organic frameworks constructed by bi-and tritopic ligands | |
| Chen, Fei1,2; Wang, Congzhi2; Lan, Jianhui2; Ji, Yanqin1; Chai, Zhifang2,3 | |
| 刊名 | Radiochimica acta
 |
| 2017-07-01 | |
| 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 |
| 通讯作者 | Chen, fei(chenfei@nirp.cn) ; Chai, zhifang(chaizf@ihep.ac.cn) |
| 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 |
| WOS类目 | Chemistry, Inorganic & Nuclear ; Nuclear Science & Technology |
| 语种 | 英语 |
| 出版者 | WALTER DE GRUYTER GMBH |
| WOS记录号 | WOS:000405324600003 |
| 内容类型 | 期刊论文 |
| URI标识 | http://www.corc.org.cn/handle/1471x/2177291 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Chen, Fei; Chai, Zhifang |
| 作者单位 | 1.China CDC, Natl Inst Radiol Protect, China CDC Key Lab Radiol Pretect & Nucl Emergency, Beijing 100088, Peoples R China 2.Chinese Acad Sci, Inst High Energy Phys, Key Lab Nucl Radiat & Nucl Energy Technol, Beijing 100049, Peoples R China 3.Soochow Univ, Sch Radiol & Interdisciplinary Sci, Suzhou 215123, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Fei,Wang, Congzhi,Lan, Jianhui,et al. Two novel thorium organic frameworks constructed by bi-and tritopic ligands[J]. Radiochimica acta,2017,105(7):531-539. |
| APA | Chen, Fei,Wang, Congzhi,Lan, Jianhui,Ji, Yanqin,&Chai, Zhifang.(2017).Two novel thorium organic frameworks constructed by bi-and tritopic ligands.Radiochimica acta,105(7),531-539. |
| MLA | Chen, Fei,et al."Two novel thorium organic frameworks constructed by bi-and tritopic ligands".Radiochimica acta 105.7(2017):531-539. |
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