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

被引：24

作者：

Denisenko, Yuriy G. ^{[1
,2
,3
]}

Atuchin, Victor V. ^{[4
,5
,6
,7
,8
]}

Molokeev, Maxim S. ^{[9
,10
,11
]}

Sedykh, Alexander E. ^{[3
]}

Khritokhin, Nikolay A. ^{[1
]}

Aleksandrovsky, Aleksandr S. ^{[12
,13
]}

Oreshonkov, Aleksandr S. ^{[14
,15
]}

Shestakov, Nikolai P. ^{[14
]}

Adichtchev, Sergey, V ^{[16
]}

Pugachev, Alexey M. ^{[16
]}

Sal'nikova, Elena, I ^{[1
,17
]}

Andreev, Oleg, V ^{[1
]}

Razumkova, Illaria A. ^{[1
]}

Mueller-Buschbaum, Klaus ^{[3
,18
]}

机构：

[1] Tyumen State Univ, Dept Inorgan & Phys Chem, Tyumen 625003, Russia

[2] Ind Univ Tyumen, Dept Gen & Special Chem, Tyumen 625000, Russia

[3] Justus Liebig Univ Giessen, Inst Inorgan & Analyt Chem, D-35392 Giessen, Germany

[4] SB RAS, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia

[5] Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia

[6] Novosibirsk State Univ, Dept Appl Phys, Novosibirsk 630090, Russia

[7] Novosibirsk State Tech Univ, Dept Ind Machinery Design, Novosibirsk 630073, Russia

[8] Tomsk State Univ, R&D Ctr Adv Elect Technol, Tomsk 634034, Russia

[9] Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia

[10] Siberian Fed Univ, Sch Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia

[11] Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia

[12] Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Coherent Opt, Krasnoyarsk 660036, Russia

[13] Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia

[14] Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Mol Spect, Krasnoyarsk 660036, Russia

[15] Siberian Fed Univ, Sch Engn & Construct, Krasnoyarsk 660041, Russia

[16] Russian Acad Sci, Inst Automat & Electrometry, Novosibirsk 630090, Russia

[17] Northern Transural Agr Univ, Res Dept, Tyumen 625003, Russia

[18] Justus Liebig Univ Giessen, Ctr Mat Res LaMa, D-35392 Giessen, Germany

来源：

MOLECULES | 2022年 / 27卷 / 13期

基金：

俄罗斯科学基金会;

关键词：

praseodymium sulfate; crystal structure; thermal analysis; thermal expansion anisotropy; photoluminescence; band structure; vibrational properties; SELECTIVE CATALYTIC-REDUCTION; RARE-EARTH SULFATES; DECOMPOSITION PRODUCT; COORDINATION POLYMERS; OPTICAL SPECTROSCOPY; LUMINESCENCE; PHOSPHORS; RECOVERY; OXIDE; LN;

D O I：

10.3390/molecules27133966

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Praseodymium sulfate was obtained by the precipitation method and the crystal structure was determined by Rietveld analysis. Pr-2(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) angstrom, beta = 107.9148 (7)degrees, Z = 4, V = 964.48 (3) angstrom(3) (T = 150 degrees C). The thermal expansion of Pr-2(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 beta, there is a direction of negative thermal expansion. In the argon atmosphere, Pr-2(SO4)(3) is stable in the temperature range of T = 30-870 degrees C. The kinetics of the thermal decomposition process of praseodymium sulfate octahydrate Pr-2(SO4)(3)center dot 8H(2)O was studied as well. The vibrational properties of Pr-2(SO4)(3) were examined by Raman and Fourier-transform infrared absorption spectroscopy methods. The band gap structure of Pr-2(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 Pr-2(SO4)(3) belongs to the P-3(0) -> F-3(2) transition at 640 nm.

引用

页数：23

共 97 条

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