Brager, Dominique M. published the artcilePb-Oxo Interactions in Uranyl Hybrid Materials: A Combined Experimental and Computational Analysis of Bonding and Spectroscopic Properties, Recommanded Product: 2,2′-Oxydiacetic acid, the main research area is solvothermal preparation lead uranyl terpyridine phenanthroline dicarboxylate tricarboxylate complex; crystal structure lead uranyl terpyridine phenanthroline dicarboxylate tricarboxylate complex; mol structure lead uranyl terpyridine phenanthroline dicarboxylate tricarboxylate complex; luminescence lead oxo uranyl terpyridine phenanthroline dicarboxylate tricarboxylate complex.
Reported are the syntheses and characterization of six new heterometallic UO22+/Pb2+ compounds The compounds are [UO2Pb(C4H4O5)2(H2O)].H2O (1), [UO2Pb(C15H11N3)(C9H6O6)(NO3)] (2), [UO2Pb(C15H11N3)(C9H6O6)(NO3)] (3), [UO2Pb2(C7H5NO4)2(NO3)2(H2O)2] (4), [UO2Pb(C8H6N4)(C10H2O8)].2H2O (5), and [UO2Pb(C15H11N3)(C10H10O4)4] (6). These materials feature rare instances of M-oxo interactions, which influence the bonding properties of the uranyl cation. The spectroscopic effects of these interactions were measured using luminescence and Raman spectroscopy. Computational d. functional theory-based natural bonding orbital and quantum theory of atoms in mols. methods indicate interactions arise predominantly through charge transfer between cationic units via the electron-donating uranyl O spx lone pair orbitals and electron-accepting Pb2+ p orbitals. The interaction strength varies as a function of Pb-oxo interaction distance and angle with energy values ranging from 0.47 kcal/mol in the longer contacts to 21.94 kcal/mol in the shorter contacts. Uranyl units with stronger interactions at the oxo display an asym. bond weakening and a loss of covalent character in the U=O bonds interacting closely with the Pb2+ ion. Luminescence quenching is observed in cases in which strong Pb-oxo interactions are present and is accompanied by red shifting of the uranyl sym. Raman stretch. Changes to inner sphere uranyl bonding manifest as a weakening of the U=O bond as a result of interaction with the Pb2+ ion. Comprehensive evaluation of the effects of metal ions on uranyl spectra supports modeling efforts probing uranyl bonding and may inform applications such as forensic signatures.
Inorganic Chemistry published new progress about Crystal structure. 110-99-6 belongs to class alcohols-buliding-blocks, name is 2,2′-Oxydiacetic acid, and the molecular formula is C4H6O5, Recommanded Product: 2,2′-Oxydiacetic acid.
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