/ Y. G. Denisenko, V. V. Atuchin, M. S. Molokeev [et al.]> // Molecules. - 2022. -
Vol. 27,
Is. 13. - Ст. 3966,
DOI 10.3390/molecules27133966. - Cited References: 95. - This research was funded by the Russian Science Foundation (project 21-19-00046, in part of conceptualization). Some parts of the experiments were performed in the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS”
. - ISSN 1420-3049
Перевод заглавия: Исследование кристаллической структуры, термических и спектроскопических свойств моноклинного сульфата празеодима Pr2(SO4)3
Аннотация: Praseodymium sulfate was obtained by the precipitation method and the crystal structure was determined by Rietveld analysis. Pr2(SO4)3 is crystallized in the monoclinic structure, space group C2/c, with cell parameters a = 21.6052 (4), b = 6.7237 (1) and c = 6.9777 (1) Å, β = 107.9148 (7)°, Z = 4, V = 964.48 (3) Å3 (T = 150 °C). The thermal expansion of Pr2(SO4)3 is strongly anisotropic. As was obtained by XRD measurements, all cell parameters are increased on heating. However, due to a strong increase of the monoclinic angle β, there is a direction of negative thermal expansion. In the argon atmosphere, Pr2(SO4)3 is stable in the temperature range of T = 30–870 °C. The kinetics of the thermal decomposition process of
praseodymium sulfate octahydrate Pr2(SO4)3·8H2O was studied as well. The vibrational properties of Pr2(SO4)3 were examined by Raman and Fourier-transform infrared absorption spectroscopy methods. The band gap structure of Pr2(SO4)3 was evaluated by ab initio calculations, and it was found that the valence band top is dominated by the p electrons of oxygen ions, while the conduction band bottom is formed by the d electrons of Pr3+ ions. The exact position of ZPL is determined via PL and PLE spectra at 77 K to be at 481 nm, and that enabled a correct assignment of luminescent bands. The maximum luminescent band in Pr2(SO4)3 belongs to the 3P0 → 3F2 transition at 640 nm.
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Держатели документа: Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University Giessen, Giessen, 35392, Germany
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Applied Physics, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Department of Industrial Machinery Design, Novosibirsk State Technical University, Novosibirsk, 630073, Russian Federation
R&D Center “Advanced Electronic Technologies”, Tomsk State University, Tomsk, 634034, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk, 630090, Russian Federation
Research Department, Northern Trans-Ural Agricultural University, Tyumen, 625003, Russian Federation
Center for Materials Research (LaMa), Justus-Liebig-University Giessen, Giessen, 35392, Germany
Доп.точки доступа: Denisenko, Y. G.; Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sedykh, A. E.; Khritokhin, N. A.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Shestakov, N. P.; Шестаков, Николай Петрович; Adichtchev, S. V.; Pugachev, A. M.; Sal’nikova, E. I.; Andreev, O. V.; Razumkova, I. A.; Muller-Buschbaum, K.