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• W1978474907 endingPage "4876" @default.
• W1978474907 startingPage "4869" @default.
• W1978474907 abstract "New bifunctional pyrazole based ligands of the type [C3HR2N2CONR′] (where R = H or CH3; R′ = CH3, C2H5, or iC3H7) were prepared and characterized. The coordination chemistry of these ligands with uranyl nitrate and uranyl bis(dibenzoyl methanate) was studied with infrared (IR), 1H NMR, electrospray-mass spectrometry (ES-MS), elemental analysis, and single crystal X-ray diffraction methods. The structure of compound [UO2(NO3)2(C3H3N2CON{C2H5}2)] (2) shows that the uranium(VI) ion is surrounded by one nitrogen atom and seven oxygen atoms in a hexagonal bipyramidal geometry with the ligand acting as a bidentate chelating ligand and bonds through both the carbamoyl oxygen and pyrazolyl nitrogen atoms. In the structure of [UO2(NO3)2(H2O)2(C5H7N2CON {C2H5}2)2], (5) the pyrazole ligand acts as a second sphere ligand and hydrogen bonds to the water molecules through carbamoyl oxygen and pyrazolyl nitrogen atoms. The structure of [UO2(DBM)2C3H3N2CON{C2H5}2] (8) (where DBM = C6H5COCHCOC6H5) shows that the pyrazole ligand acts as a monodentate ligand and bonds through the carbamoyl oxygen to the uranyl group. The ES-MS spectra of 2 and 8 show that the ligand is similarly bonded to the metal ion in solution. Ab initio quantum chemical studies show that the steric effect plays the key role in complexation behavior." @default.
• W1978474907 created "2016-06-24" @default.
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• W1978474907 date "2012-04-03" @default.
• W1978474907 modified "2023-09-27" @default.
• W1978474907 title "Steric Effects on Uranyl Complexation: Synthetic, Structural, and Theoretical Studies of Carbamoyl Pyrazole Compounds of the Uranyl(VI) Ion" @default.
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• W1978474907 doi "https://doi.org/10.1021/ic300398a" @default.
• W1978474907 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22471744" @default.
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