Two semiconductive coordination polymers based on a chelating redox-active ligand were synthesized and structurally characterized. Strong and continuous intermolecular π–π interactions are likely the reason for moderate electrical conductivity of about 10⁻⁵ S m⁻¹ in these materials. The results of DFT calculations indicate that the continuous π–π stacking structure contributes to the orbital overlap and thus improves charge transport performance.

中文翻译：

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具有连续 π-π 相互作用和明确晶体结构的半导体配位聚合物

合成了两种基于螯合氧化还原活性配体的半导体配位聚合物并对其进行了结构表征。强且连续的分子间 π-π 相互作用可能是这些材料中约 10 ^-5 S m ^-1中等电导率的原因。DFT 计算结果表明，连续的 π-π 堆叠结构有助于轨道重叠，从而提高电荷传输性能。