Published January 2015
| Version v1
Journal article
Structure and vibrational spectra of uranyl dinitrate complexes with water and DMSO
- 1. Belarusian state university, Minsk (Belarus)
Description
Structural models were designed and spectral characteristics were computed based on DFT calculations for uranyl dinitrate complexes with H2O and DMSO [UO2(NO3)2×2DMSO, UO2(NO3)2×2H2O×2DMSO, UO2(NO3)2×2H2O×4DMSO]. Vibrational IR and Raman spectra of UO2(NO3)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. (authors)
Additional details
Additional titles
- Original title (Russian)
- Строение и колебательные спектры комплексов уранилдинитрата с водой и DMSO
Publishing Information
- Journal Title
- Zhurnal Prikladnoj Spektroskopii
- Journal Volume
- 82
- Journal Issue
- 1
- Journal Page Range
- p. 29-36
- ISSN
- 0514-7506
INIS
- Country of Publication
- Belarus
- Country of Input or Organization
- Belarus
- INIS RN
- 46131872
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- COMPUTERIZED SIMULATION; DENSITY FUNCTIONAL METHOD; DMSO; INFRARED SPECTRA; RAMAN EFFECT; RAMAN SPECTRA; URANIUM COMPLEXES; URANIUM COMPOUNDS; URANIUM NITRATES; WATER
- Descriptors DEC
- ACTINIDE COMPLEXES; ACTINIDE COMPOUNDS; CALCULATION METHODS; COMPLEXES; HYDROGEN COMPOUNDS; NITRATES; NITROGEN COMPOUNDS; ORGANIC COMPOUNDS; ORGANIC SULFUR COMPOUNDS; OXYGEN COMPOUNDS; SIMULATION; SPECTRA; SULFOXIDES; URANIUM COMPOUNDS; VARIATIONAL METHODS