Crystal and electronic structure, thermochemical and photophysical properties of europium-silver sulfate monohydrate AgEu(SO4)2·H2O | Научно-инновационный портал СФУ

Crystal and electronic structure, thermochemical and photophysical properties of europium-silver sulfate monohydrate AgEu(SO4)2·H2O

Тип публикации: статья из журнала

Год издания: 2021

Идентификатор DOI: 10.1016/j.jssc.2020.121898

Ключевые слова: europium, luminescence, structure, sulfates, thermochemistry

Аннотация: In order to synthesize single crystals of europium-silver double sulfate monohydrate, a hydrothermal reaction route was used. It was found that the crystallization cannot be performed under standard conditions. The compound AgEu(SO4)2·H2O crystallizes in the trigonal crystal system, space group P3221 (a ​= ​6.917(1), c ​= ​12.996(2) Å, V ​= ​538.53(17) Å3). The structure consists of triple-capped trigonal prisms [EuO9], in which one oxygen atom belongs to crystalline water, silver octahedra [AgO6], and sulfate tetrahedra [SO4]. The hydrogen bonds in the system additionally stabilize the structure. The electronic band structure wasstudied by density functional theory calculations which show that AgEu(SO4)2·H2O is an indirect band gap dielectric. Temperature dependent photoluminescence spectroscopy shows emission bands of transitions from the 5D0 state to the spin-orbit components of the 7FJmultiplet (J ​= ​0–6).The ultranarrow transition 5D0 - 7F0 shows a red shift with respect to other europium-containing water-free sulfates that is ascribed to the presence of OH group in the crystal structure in the close vicinity of the Eu3+ ion. An effect of abnormal sensitivity of the Ω4 intensity factor to minor distortions of the local environment is detected for the observed low local symmetry of C2. © 2020 Elsevier Inc.

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Издание

Журнал: Journal of Solid State Chemistry

Выпуск журнала: Vol. 294

Авторы

  • Denisenko Yuriy G. (Tyumen State Univ, Inst Chem, Tyumen 625003, Russia; Justus Liebig Univ Giessen, Inst Inorgan & Analyt Chem, D-35392 Giessen, Germany; Ind Univ Tyumen, Dept Gen & Special Chem, Tyumen 625000, Russia)
  • Sedykh Alexander E. (Justus Liebig Univ Giessen, Inst Inorgan & Analyt Chem, D-35392 Giessen, Germany; Justus Liebig Univ Giessen, Ctr Mat Res LaMa, D-35392 Giessen, Germany)
  • Molokeev Maxim S. (Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia; Siberian Fed Univ, Krasnoyarsk 660041, Russia; Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia)
  • Oreshonkov Aleksandr S. (Siberian Fed Univ, Krasnoyarsk 660041, Russia; Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Mol Spect, Krasnoyarsk 660036, Russia)
  • Aleksandrovsky Aleksandr S. (Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Coherent Opt, Krasnoyarsk 660036, Russia; Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia)
  • Krylov Alexander S. (Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Lab Mol Spect, Krasnoyarsk 660036, Russia)
  • Khritokhin Nikolay A. (Tyumen State Univ, Inst Chem, Tyumen 625003, Russia)
  • Sal'nikova Elena (Tyumen State Univ, Inst Chem, Tyumen 625003, Russia; Northen Trans Ural Agr Univ, Komissarov Dept Gen Chem, Tyumen 625003, Russia)
  • Andreev Oleg (Tyumen State Univ, Inst Chem, Tyumen 625003, Russia; UB RAS, Lab Chem Rare Earth Cpds, Inst Solid State Chem, Ekaterinburg 620137, Russia)
  • Mueller-Buschbaum Klaus (Justus Liebig Univ Giessen, Inst Inorgan & Analyt Chem, D-35392 Giessen, Germany; Justus Liebig Univ Giessen, Ctr Mat Res LaMa, D-35392 Giessen, Germany)

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