Structure and Vibrational Spectra of Uranyl Dinitrate Complexes with Water and DMSO

Structural models were designed and spectral characteristics were computed based on DFT calculations for uranyl dinitrate complexes with H 2 O and DMSO [UO 2 (NO 3 ) 2 ·2DMSO, UO 2 (NO 3 ) 2 ·2H 2 O·2DMSO, UO 2 (NO 3 ) 2 ·2H 2 O·4DMSO]. Vibrational IR and Raman spectra of UO 2 (NO 3 ) 2 ·2DMSO were...

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Bibliographic Details
Published inJournal of applied spectroscopy Vol. 82; no. 1; pp. 25 - 32
Main Authors Shundalau, M. B., Zazhogin, A. A., Zazhogin, A. P., Komyak, A. I., Umreiko, D. S.
Format Journal Article
LanguageEnglish
Published Boston Springer US 01.03.2015
Springer
Subjects
Analysis
Analytical Chemistry
Atomic/Molecular Structure and Spectra
Physics
Physics and Astronomy
Radioactive substances
Raman spectroscopy
Uranium
effective core potential
dimethylsulfoxide
density functional theory
infrared spectrum
coordination complex
Raman spectrum
uranyl dinitrate
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Summary:Structural models were designed and spectral characteristics were computed based on DFT calculations for uranyl dinitrate complexes with H 2 O and DMSO [UO 2 (NO 3 ) 2 ·2DMSO, UO 2 (NO 3 ) 2 ·2H 2 O·2DMSO, UO 2 (NO 3 ) 2 ·2H 2 O·4DMSO]. Vibrational IR and Raman spectra of UO 2 (NO 3 ) 2 ·2DMSO were interpreted using models for bidentate and monodentate coordination of nitrate ions to uranyl. Several spectral signatures that characterized DMSO complexation in the second coordination sphere were identified and had analytical significance.
ISSN:0021-9037
1573-8647
DOI:10.1007/s10812-015-0059-2