Abstract

The reaction of a solution of Sb₂O₃ in HBr in the presence of Br₂ with a solution of 2,6-dibromopyridine (2,6-BrPy) in HBr affords supramolecular bromoantimonate polybromide (2,6-BrPy)₃[SbBr₆]-{(Br₂)Br} · 2H₂O (I). The structure of compound I is determined by X-ray structure analysis (СIF file CCDC no. 1962867). The energies of noncovalent Br···Br interactions in the solid state are estimated by quantum-chemical calculations.

中文翻译：

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超分子溴化锑（V）聚溴化物（2,6-BrPyH）3 [SbBr 6] {（Br 2）Br}·2H 2 O：晶体结构中卤素···卤素触点的特定特征

摘要

在Br ₂存在下，Sb ₂ O ₃在HBr中的溶液与2,6-二溴吡啶（2,6-BrPy）在HBr中的溶液反应，得到超分子溴锑酸多溴化物（2,6-BrPy）₃ [SbBr ₆ ]-{（Br ₂）Br}·2H ₂ O（I）。化合物I的结构通过X射线结构分析确定（СIF文件CCDC号1962867）。固态非共价Br···Br相互作用的能通过量子化学计算来估计。