Crystal structure of bis-[octa-kis-(di-methyl sulfoxide-κ O)-ytterbium(III)] penta-bromido-plumbate(II) tribromide di-methyl sulfoxide monosolvate: a ytterbium-doped lead halide perovskite precursor

Takumi Kinoshita; Kanna Fukumoto; Hiroshi Segawa

doi:10.1107/S2056989023002852

Crystal structure of bis-[octa-kis-(di-methyl sulfoxide-κ O)-ytterbium(III)] penta-bromido-plumbate(II) tribromide di-methyl sulfoxide monosolvate: a ytterbium-doped lead halide perovskite precursor

Acta Crystallogr E Crystallogr Commun. 2023 Mar 31;79(Pt 4):402-405. doi: 10.1107/S2056989023002852. eCollection 2023 Mar 1.

Authors

Takumi Kinoshita¹, Kanna Fukumoto², Hiroshi Segawa^{1

2}

Affiliations

¹ Graduate School of Arts and Sciences, The University of Tokyo, 3-8-1 Komaba, Meguro-ku, Tokyo, 153-8902, Japan.
² Research Center for Advanced Science and Technology (RCAST), The University of, Tokyo 4-6-1, Komaba, Meguro-ku, Tokyo, 153-8904, Japan.

Abstract

A mixture of PbBr₂ and YbBr₃·nH₂O in a dimethyl sulfoxide (DMSO) solution yielded single crystals of a lead halide perovskite precursor with ytterbium, bis-[octa-kis-(di-methyl sulfoxide)-ytterbium(III)]penta-bromido-plumbate(II) tri-bromide with di-methyl sulfoxide as co-crystallite, [Yb(C₂H₆OS)₈][PbBr₅]_0.5Br_1.5·0.5C₂H₆OS. The complex ions PbBr₅ ^3- and Yb(DMSO)₈ ³⁺ are present in the crystal together with three Br^- ions and DMSO mol-ecules. X-ray crystallography revealed that the Br^- ions in YbBr₃ are replaced by the solvent and bound to a Pb^II atom or remain free. The presence of PbBr₅ ^3- units, which are mol-ecular ions with a square-pyramidal structure, is also observed. These single crystals react with a caesium chloride solution, exhibiting near-infrared (NIR) luminescence by visible photoexcitation, suggesting the formation of Yb³⁺-doped lead halide perovskites (CsPbBr_3-x Cl _x ·Yb³⁺).

Keywords: crystal structure; lead halide perovskite; photoluminescence; ytterbium.

Grants and funding

Funding for this research was provided by: Japan Society for the Promotion of Science (grant No. 18H02069); New Energy and Industrial Technology Development Organization.