Title: Joint Raman spectroscopic and quantum chemical analysis of the vibrational features of Cs2RuO4
Authors: NAJI MOHAMEDDI LEMMA FIDELMAKOVACS ATTILABENES ONDREJMANARA DarioCOLLE Jean-YvesPAGLIOSA GiorgioRAISON PhilippeKONINGS Rudy
Citation: JOURNAL OF RAMAN SPECTROSCOPY vol. 46 no. 7 p. 661-668
Publisher: WILEY-BLACKWELL
Publication Year: 2014
JRC N°: JRC92285
ISSN: 0377-0486
URI: http://onlinelibrary.wiley.com/doi/10.1002/jrs.4705/abstract
http://publications.jrc.ec.europa.eu/repository/handle/JRC92285
DOI: 10.1002/jrs.4705
Type: Articles in periodicals and books
Abstract: The Raman spectroscopic characterization of the orthorhombic phase of Cs2RuO4 was carried out by means of group theory and quantum chemical analysis. Multiple models based on ruthenate (VI+) tetrahedra were tested, and characterization of all the active Raman modes was achieved. A comparison of Raman spectra of Cs2RuO4, Cs2MoO4, and Cs2WO4 was also performed. Raman laser heating induced a phase transition from an ordered to a disordered structure. The temperature-phase transition was calculated from the anti-Stokes/Stokes ratio and compared with the ones measured at macroscopic scale. The phase transition is connected with tilting and/or rotations of RuO4 tetrahedra, which lead to a disorder at the RuO4 sites.
JRC Directorate:Nuclear Safety and Security

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