Article Exploration of the Crystal Structure and Thermal and Spectroscopic Properties of Monoclinic Praseodymium Sulfate Pr2 (SO4)3

Описание

Тип публикации: статья из журнала

Год издания: 2022

Идентификатор DOI: 10.3390/molecules27133966

Ключевые слова: band structure, crystal structure, photoluminescence, praseodymium sulfate, thermal analysis, thermal expansion anisotropy, vibrational properties

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). TПоказать полностьюhe 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)3·8H2 O 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 the3 P0 →3 F2 transition at 640 nm. © 2022 by the authors. Licensee MDPI, Basel, Switzerland.

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Издание

Журнал: Molecules

Выпуск журнала: Vol. 27, Is. 13

Номера страниц: 3966

ISSN журнала: 14203049

Издатель: MDPI

Персоны

  • Denisenko Y.G. (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)
  • Atuchin V.V. (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)
  • Molokeev M.S. (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)
  • Sedykh A.E. (Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University Giessen, Giessen, 35392, Germany)
  • Khritokhin N.A. (Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation)
  • Aleksandrovsky A.S. (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)
  • Oreshonkov A.S. (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)
  • Shestakov N.P. (Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation)
  • Adichtchev S.V. (Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk, 630090, Russian Federation)
  • Pugachev A.M. (Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk, 630090, Russian Federation)
  • Sal’nikova E.I. (Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation, Research Department, Northern Trans-Ural Agricultural University, Tyumen, 625003, Russian Federation)
  • Andreev O.V. (Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation)
  • Razumkova I.A. (Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation)
  • Müller-Buschbaum K. (Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University Giessen, Giessen, 35392, Germany, Center for Materials Research (LaMa), Justus-Liebig-University Giessen, Giessen, 35392, Germany)

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