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Inorg Chem. 2016 Jun 6;55(11):5540-8. doi: 10.1021/acs.inorgchem.6b00582. Epub 2016 May 12.

Entangled Uranyl Organic Frameworks with (10,3)-b Topology and Polythreading Network: Structure, Luminescence, and Computational Investigation.

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State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences , 5625 Renmin Street, Changchun, Jilin 130022, People's Republic of China.
University of Chinese Academy of Sciences , Beijing 100049, People's Republic of China.
Key Laboratory of Functional Inorganic Material Chemistry of Education Ministry, School of Chemistry and Materials Science, Heilongjiang University , Harbin 150080, People's Republic of China.
State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University , Changchun 130012, People's Republic of China.


Two 3D uranyl organic frameworks (UOFs) with entangled structures, (HPhen)2[(UO2)2L2]·4.5H2O (1) and [(UO2)3(H2O)4L2]·6H2O (2), were synthesized using a rigid tripodal linker (4,4',4″-(phenylsilanetriyl)tribenzoic acid, H3L). Compound 1 represents a 2-fold interpenetrating UOF with the unique (10,3)-b topology. Compound 2 is composed of three interlocked sets of identical singlet networks and thus exhibits a rare 3D polythreading network with (3,4)-connected topology. These two compounds have been characterized by IR, UV-vis, and photoluminescent spectroscopy. A density functional theory (DFT) study on the model compounds of 1 and 2 shows good agreement of structural parameters and U═O stretching vibrational frequencies with experimental data. The experimentally measured absorption bands were well reproduced by the time-dependent DFT calculations.

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