Crystal structures and luminescence properties of halocuprates with trimethylsulfonium cations

We report the crystal structures, thermal stability, and luminescence properties of three trimethylsulfonium halocuprates: (TMS)Cu2I3, and two new bromide phases: (TMS)Cu2Br3 and (TMS)2CuBr3. (TMS)Cu2I3 and (TMS)Cu2Br3 are isostructural and contain double chains of edge-sharing [CuX4] tetrahedra, whereas (TMS)2CuBr3 features isolated [CuBr3]2− triangular units. All compounds exhibit direct bandgaps and demonstrate photoluminescence at low temperature, with (TMS)Cu2Br3 demonstrating temperature-dependent dual emission behavior, observed for the first time among related hybrid halocuprates. Through comparative analysis of optical properties with structurally related halocuprates and DFT calculations, we elucidate the structure-property relationships governing the observed luminescence behavior of ACu2X3-type halocuprates. © 2025 The Royal Society of Chemistry.

Авторы
Petrov Andrey A. 1, 2 , Chen Luyi 1 , Li Mingming 1 , Fateev Sergey A. 1, 2 , Petrov Andrey V. 3 , Khrustalev Victor N. 4, 5 , Tarasov Alexey B. 2, 6
Журнал
Dalton Transactions
Издательство
Royal Society of Chemistry
Номер выпуска
22
Язык
Английский
Страницы
9088-9094
Статус
Опубликовано
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Внешняя ссылка
DOI
10.1039/D5DT00852B
Том
54
Год
2025
Организации
  • 1 Department of Materials Science, Shenzhen MSU-BIT University, Shenzhen, Guangdong, China
  • 2 Department of Materials Science, Lomonosov Moscow State University, Moscow, Moscow Oblast, Russian Federation
  • 3 Saint Petersburg State University, Saint Petersburg, Russian Federation
  • 4 Department of Inorganic Chemistry, RUDN University, Moscow, Moscow Oblast, Russian Federation
  • 5 N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
  • 6 Department of Chemistry, Lomonosov Moscow State University, Moscow, Moscow Oblast, Russian Federation
Ключевые слова
Crystals structures; Double chain; Edge sharing; Isostructural; Lows-temperatures; Luminescence properties; Stability properties; Structure property; Tetrahedra; Thermal; Halon; cation; article; controlled study; crystal structure; drug development; low temperature; luminescence; photoluminescence; temperature; thermostability; transcranial magnetic stimulation
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