Binding interactions of butyl viologen (BV⁺) with para-dicyclohexanocucurbit[6]uril (Cy2Q[6]) and α,α′,δ,δ′-tetramethyl cucurbit[6]uril (TMeQ[6]) were investigated by ¹H NMR spectroscopy, isothermal titration calorimetry (ITC) and X-ray crystallography. In the solid state, the BV⁺ guest and both hosts form polymeric supramolecular crystals through multiple noncovalent interactions, including host–guest interaction, π–π stacking interaction, and metal–host coordination. In the aqueous solution, the butyl chain of BV⁺ was selectively encapsulated into the hosts Cy2Q[6] and TMeQ[6], while the bipyridinium group resides outside of the host portals, forming [2]pseudorotaxane. The ITC experiment indicates that the host–guest binding processes are exclusively enthalpy driven.

中文翻译：

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多个非共价相互作用构成的聚合物超分子晶体：对-二环己基葫芦[6] uril和α，α'，δ，δ'-四甲基葫芦[6] uril对丁基紫精的识别

结合丁基紫精（BV的相互作用⁺用）第-dicyclohexanocucurbit [6]脲（Cy2Q [6]）和α，α'，δ，δ'四甲基葫芦[6]脲（TMeQ [6]），通过研究¹ 1 H NMR光谱，等温滴定热法（ITC）和X射线晶体学。在固态下，BV ⁺客体和两个主体通过多种非共价相互作用形成聚合的超分子晶体，包括主体-客体相互作用，π-π堆积相互作用以及金属-主体配位。在水溶液中，BV ⁺的丁基链联吡啶基团选择性地封装在宿主Cy2Q [6]和TMeQ [6]中，而联吡啶鎓基团则位于宿主门户的外面，形成[2]假轮烷。ITC实验表明，宿主与客体的绑定过程完全是由焓驱动的。