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首页> 外文期刊>Crystal growth & design >Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles
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Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles

机译：二和三卤代咪唑的可转换链中的卤素和氢键结构

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Halogen bonds have been employed for controlling the structure of (NHN)-N-... hydrogen-bonded chains in halogenated imidazoles; the CH(...)halogen contacts stabilize the coplanar arrangement of molecules, whereas the halogen(...)halogen contacts twist the molecules around the NH...N bonds and stretch their (NN)-N-... distances. The interplay of halogen...halogen and NH...N hydrogen bonds leads to isostructural relations of 4,5-dihaloimidazoles as well as between trichloro- and tribromoimidazole. However, the increasing steric hindrance excludes the triiodoimidazole from this isostructural series, and the triiodo derivative forms an unusual structure with three symmetry-independent molecules. All symmetrically substituted 4,5-dichloro-, dibromo-, and diiodoimidazoles as well as trichloro-, tribromo-, and triiodoimidazoles have been synthesized and crystallized and their structures determined. The derived rules also apply to the co-crystal structures of 4,5-diiodoimidazole:2,4,5-triiodoimidazole as well as to 4-iodoimidazole:2,4-diiodoimidazole. The halogen interactions prove an efficient means for engineering and tuning new materials with desired dielectric properties relying on highly polarizable (NHN)-N-... hydrogen bonds.
机译：卤素键已被用于控制卤代咪唑中（NHN）-N -...氢键链的结构。 CH（...）卤素接触稳定了分子的共面排列，而卤素（...）卤素接触扭曲了NH ... N键周围的分子并伸展了（NN）-N -...距离。卤素...卤素和NH ... N氢键的相互作用导致4,5-二卤代咪唑以及三氯和三溴咪唑之间的同构关系。但是，增加的空间位阻从该同构系列中排除了三碘咪唑，并且三碘代衍生物形成了具有三个独立于对称性的分子的异常结构。所有对称取代的4,5-二氯，二溴和二碘咪唑以及三氯，三溴和三碘咪唑均已合成并结晶，并确定了它们的结构。导出的规则还适用于4,5-二碘咪唑：2,4,5-三碘咪唑的共晶体结构以及4-碘咪唑：2,4-二碘咪唑。卤素相互作用证明是一种工程和调谐具有所需介电性能的新材料的有效方法，该材料依赖于高度可极化（NHN）-N -...氢键。

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