New Three-Fold Interpenetrated Uranyl Organic Framework Constructed by Terephthalic Acid and Imidazole Derivative

被引：42

作者：

Chen, Fei ^{[1
,2
]}

Wang, Cong-zhi ^{[2
]}

Li, Zi-jie ^{[2
]}

Lan, Jian-hui ^{[2
]}

Ji, Yan-qin ^{[1
]}

Chai, Zhi-fang ^{[2
,3
]}

机构：

[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

来源：

INORGANIC CHEMISTRY | 2015年 / 54卷 / 08期

基金：

中国国家自然科学基金;

关键词：

MOFS; ADSORPTION; LANTHANIDE; PSEUDOPOTENTIALS; ACTINIDES; UO2(2+); THORIUM; THO2;

D O I：

10.1021/acs.inorgchem.5b00013

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A new 3-fold interpenetrated uranyl organic framework, UO2(bdc)(dmpi), was hydrothermally synthesized using 1,4-benzenedicarboxylic acid (H2bdc) and 1-(4-(1H-imidazol-1-yl)-2,5-dimethylphenyl)-1H-imidazole (dmpi). This framework, which was determined by synchrotron radiation X-ray, exhibited a new 3-fold interpenetrated (2,4)-connected topology with the Schlafli symbol of (12(6))(12)(2). Additionally, large incurvation happened to the bond angle of [O=U=O](2+), which was always arranged in a rigorous line. Computational results based on density functional theory (DFT) indicated that the bent geometry of uranyl in UO2(bdc)(dmpi) was mainly due to the higher charge populations in the valence 6d shells of uranium, rendered by the electronegative imidazoles.

引用

页码：3829 / 3834

页数：6

共 42 条

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