title: New three-fold interpenetrated uranyl organic framework constructed by terephthalic acid and imidazole derivative.
abstract: 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 Schläfli 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.
authors.affiliation: †China CDC Key Laboratory of Radiological Pretection and Nuclear Emergency, National Institute for Radiological Protection, China CDC, Beijing 100088, People's Republic of China.|‡Key Lab of Nuclear Radiation and Nuclear Energy Technology, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
authors.forename: Fei
authors.initials: F
authors.lastname: Chen
authors.affiliation: ‡Key Lab of Nuclear Radiation and Nuclear Energy Technology, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
authors.forename: Cong-zhi
authors.initials: CZ
authors.lastname: Wang
authors.affiliation: ‡Key Lab of Nuclear Radiation and Nuclear Energy Technology, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
authors.forename: Zi-jie
authors.initials: ZJ
authors.lastname: Li
authors.affiliation: ‡Key Lab of Nuclear Radiation and Nuclear Energy Technology, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
authors.forename: Jian-hui
authors.initials: JH
authors.lastname: Lan
authors.affiliation: †China CDC Key Laboratory of Radiological Pretection and Nuclear Emergency, National Institute for Radiological Protection, China CDC, Beijing 100088, People's Republic of China.
authors.forename: Yan-qin
authors.initials: YQ
authors.lastname: Ji
authors.affiliation: ‡Key Lab of Nuclear Radiation and Nuclear Energy Technology, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
authors.forename: Zhi-fang
authors.initials: ZF
authors.lastname: Chai