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The Mixed-Valence Catena-Heteropolycation (Bi2S2)+
Zeitschrift für anorganische und allgemeine Chemie ( IF 1.1 ) Pub Date : 2021-09-03 , DOI: 10.1002/zaac.202100188 Maximilian Knies 1 , Paul Nawroth 1 , Pavlo Golub 2 , Anna Isaeva 3 , Michael Ruck 4
Zeitschrift für anorganische und allgemeine Chemie ( IF 1.1 ) Pub Date : 2021-09-03 , DOI: 10.1002/zaac.202100188 Maximilian Knies 1 , Paul Nawroth 1 , Pavlo Golub 2 , Anna Isaeva 3 , Michael Ruck 4
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The reaction of Bi and Bi2S3 in the Lewis-acidic ionic liquid [BMIm]Cl ⋅ 4.3AlCl3 (BMIm=1-n-butyl-3-methylimidazolium) at 200 °C yielded air-sensitive black crystals of (Bi2S2)[AlCl4]. X-ray diffraction on single-crystals revealed a monoclinic structure containing infinite chains 
. These polycations contain bismuth(II,III) and sulfur(-II) atoms, connected by polar covalent Bi−S and Bi−Bi bonds. The assignment of bonds is ambiguous as a distinction between primary and secondary interactions is arbitrary based on interatomic distances. A real-space quantum chemical bonding analysis, including delocalization indices, helped to quantify the interactions and charge distribution, confirming that a simple Lewis formula is inappropriate to describe the polycation.
中文翻译：
混合价链-杂聚 (Bi2S2)+
Bi 和 Bi 2 S 3在路易斯酸性离子液体 [BMIm]Cl ⋅ 4.3AlCl 3 (BMIm=1- n -丁基-3-甲基咪唑鎓) 中在 200 °C 反应产生了 (Bi 2 S 2 )[AlCl 4 ]。单晶的 X 射线衍射揭示了包含无限链的单斜结构
. 这些聚阳离子包含铋 (II,III) 和硫 (-II) 原子，通过极性共价 Bi-S 和 Bi-Bi 键连接。由于主要和次要相互作用之间的区别基于原子间距离是任意的，因此键的分配是不明确的。包括离域指数在内的实空间量子化学键分析有助于量化相互作用和电荷分布，证实简单的路易斯公式不适合描述聚阳离子。
更新日期：2021-11-12
. These polycations contain bismuth(II,III) and sulfur(-II) atoms, connected by polar covalent Bi−S and Bi−Bi bonds. The assignment of bonds is ambiguous as a distinction between primary and secondary interactions is arbitrary based on interatomic distances. A real-space quantum chemical bonding analysis, including delocalization indices, helped to quantify the interactions and charge distribution, confirming that a simple Lewis formula is inappropriate to describe the polycation.
中文翻译：
混合价链-杂聚 (Bi2S2)+
Bi 和 Bi 2 S 3在路易斯酸性离子液体 [BMIm]Cl ⋅ 4.3AlCl 3 (BMIm=1- n -丁基-3-甲基咪唑鎓) 中在 200 °C 反应产生了 (Bi 2 S 2 )[AlCl 4 ]。单晶的 X 射线衍射揭示了包含无限链的单斜结构
. 这些聚阳离子包含铋 (II,III) 和硫 (-II) 原子，通过极性共价 Bi-S 和 Bi-Bi 键连接。由于主要和次要相互作用之间的区别基于原子间距离是任意的，因此键的分配是不明确的。包括离域指数在内的实空间量子化学键分析有助于量化相互作用和电荷分布，证实简单的路易斯公式不适合描述聚阳离子。
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