Abstract

The reactions of lead bromide with 7,7,8,8-tetracyanoquinodimethane and anthracen-9-ylmethanamine hydrobromide in dimethylformamide (DMF) afford the known low-dimensional perovskite {PbBr₂(DMF)}_n (I) with an impurity of a new hybrid 1D perovskite {Ca(DMF)₆[PbBr₃]₂}_n (II), which is isolated in the individual form and characterized by X-ray diffraction analysis. In the crystal of compound II, lead bromide forms infinite chains of PbBr₅ octahedra with one vacant vertex between which calcium cations coordinated by the DMF molecules are arranged. The calcium cations presumably have got into the reaction mixture from water used for the washing of the reaction vessel for crystallization after the previous attempt of the synthesis. An attempt of the purposeful preparation of this hybrid 1D perovskite from various calcium salts as sources of this metal ion gives one more new low-dimensional perovskite {Ca(DMF)₆[PbBr_2.3Cl_0.7]₂}_n (III) in which halide anions (bromide and chloride anions from lead bromide and calcium chloride, respectively) build up the coordination sphere of the lead ion to an octahedral one inducing no noticeable changes in the crystal packing compared to that of compound II. The X-ray diffraction results are deposited with the Cambridge Crystallographic Data Centre (CIF files CCDC nos. 2045586 (I), 2047219 (II), and 2047220 (III)).

中文翻译：

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基于溴化铅的新型低维钙钛矿

摘要

溴化铅与 7,7,8,8-四氰基醌二甲烷和蒽-9-基甲胺氢溴酸盐在二甲基甲酰胺 (DMF) 中的反应得到已知的低维钙钛矿 {PbBr ₂ (DMF)} _n ( I )，杂质为新的混合一维钙钛矿 {Ca(DMF) ₆ [PbBr ₃ ] ₂ } _n ( II )，它以单独的形式被分离出来，并通过 X 射线衍射分析表征。在化合物II的晶体中，溴化铅形成无限长的PbBr ₅链。八面体具有一个空顶点，由 DMF 分子配位的钙阳离子排列在该顶点之间。在先前的合成尝试之后，钙阳离子可能已经从用于洗涤反应容器以进行结晶的水进入反应混合物中。尝试从各种钙盐作为这种金属离子的来源有目的地制备这种混合一维钙钛矿，得到了另一种新的低维钙钛矿 {Ca(DMF) ₆ [PbBr _2.3 Cl _0.7 ] ₂ } _n ( III)，其中卤化物阴离子（溴化物和氯化物阴离子分别来自溴化铅和氯化钙）将铅离子的配位球构建为八面体，与化合物II相比，不会引起晶体堆积的明显变化。X 射线衍射结果存放在剑桥晶体学数据中心（CIF 文件 CCDC 编号 2045586 ( I )、2047219 ( II ) 和 2047220 ( III )）。