Raman spectroscopic study of natural and synthetic brannerite
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
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Yn: Journal of Nuclear Materials, Cyfrol 437, Rhif 1-3, 01.06.2013, t. 149-153.
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
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T1 - Raman spectroscopic study of natural and synthetic brannerite
AU - Zhang, Yingjie
AU - Karatchevtseva, Inna
AU - Qin, Mengjun
AU - Middleburgh, Simon C.
AU - Lumpkin, Gregory R.
PY - 2013/6/1
Y1 - 2013/6/1
N2 - Raman spectra of a well-characterized natural brannerite and some synthetic brannerite samples have been collected and analysed. For the first time, all 12 theoretical Raman vibrational modes of CeTi2O6 with brannerite structure have been positively identified by using quantum chemical calculations based on density functional theory (DFT) and assigned to the spectra. For synthetic samples with Y or Ca substitution on the U site and Fe substitution on the Ti site, Y-O, Fe-O and U-O vibrational modes are tentatively assigned. The U-O bond lengths for the uranyl (UO2)(2+) groups, have been calculated by using the measured wavenumbers of v(1) (UO2)(2+) symmetric stretching vibrations and compared with the published U-O bond lengths of a natural brannerite. (C) 2013 Elsevier B.V. All rights reserved.
AB - Raman spectra of a well-characterized natural brannerite and some synthetic brannerite samples have been collected and analysed. For the first time, all 12 theoretical Raman vibrational modes of CeTi2O6 with brannerite structure have been positively identified by using quantum chemical calculations based on density functional theory (DFT) and assigned to the spectra. For synthetic samples with Y or Ca substitution on the U site and Fe substitution on the Ti site, Y-O, Fe-O and U-O vibrational modes are tentatively assigned. The U-O bond lengths for the uranyl (UO2)(2+) groups, have been calculated by using the measured wavenumbers of v(1) (UO2)(2+) symmetric stretching vibrations and compared with the published U-O bond lengths of a natural brannerite. (C) 2013 Elsevier B.V. All rights reserved.
U2 - 10.1016/j.jnucmat.2013.02.004
DO - 10.1016/j.jnucmat.2013.02.004
M3 - Erthygl
VL - 437
SP - 149
EP - 153
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
SN - 0022-3115
IS - 1-3
ER -