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双-[八-双-(二甲基亚砜-κ)-镱(III)]五溴化铅(II)三溴化物二甲基亚砜单溶剂化物的晶体结构:一种镱掺杂的卤化铅钙钛矿前驱体

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

作者信息

Kinoshita Takumi, Fukumoto Kanna, Segawa Hiroshi

机构信息

Graduate School of Arts and Sciences, The University of Tokyo, 3-8-1 Komaba, Meguro-ku, Tokyo, 153-8902, Japan.

Research Center for Advanced Science and Technology (RCAST), The University of, Tokyo 4-6-1, Komaba, Meguro-ku, Tokyo, 153-8904, Japan.

出版信息

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

Abstract

A mixture of PbBr and YbBr·HO 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(CHOS)][PbBr]Br·0.5CHOS. The complex ions PbBr and Yb(DMSO) are present in the crystal together with three Br ions and DMSO mol-ecules. X-ray crystallography revealed that the Br ions in YbBr are replaced by the solvent and bound to a Pb atom or remain free. The presence of PbBr 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 Yb-doped lead halide perovskites (CsPbBr Cl ·Yb).

摘要

在二甲基亚砜(DMSO)溶液中,溴化铅(PbBr)和溴化镱·水合物(YbBr·H₂O)的混合物生成了一种含镱的卤化铅钙钛矿前驱体的单晶,即双-[八-双-(二甲基亚砜)-镱(III)]五溴化铅酸(II)三溴化物,其中二甲基亚砜作为共结晶物,化学式为[Yb(CH₃SO₂)₈][PbBr₅]Br·0.5CH₃SO₂。晶体中存在络合离子PbBr₅²⁻和Yb(DMSO)₈³⁺,以及三个溴离子和二甲基亚砜分子。X射线晶体学研究表明,YbBr₃中的溴离子被溶剂取代并与一个铅原子结合,或者保持游离状态。还观察到存在具有四方锥结构的分子离子PbBr₅²⁻单元。这些单晶与氯化铯溶液反应,通过可见光激发呈现近红外(NIR)发光,表明形成了掺镱的卤化铅钙钛矿(CsPbBr₃₋ₓClₓ·Yb)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf19/10088316/5513154928d4/e-79-00402-fig1.jpg

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