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

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 (126)­(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.