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Updated: May 20, 2025
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Crystal structures and luminescence properties of halocuprates with trimethylsulfonium cations
Andrey A Petrov1,2, Luyi Chen1, Mingming Li1
1Faculty of Materials Science, Shenzhen MSU-BIT University, 518172 Shenzhen, China. basolon@gmail.com.
Abstract:
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.
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