研究报道了一种新型的机械互锁分子 Suit[3]ane，由含有三个突出己基链的苯并三噻吩衍生物作为主体和一个3对称的扩展吡啶基笼状结构HexaCage(6+)作为套件组成。通过有效的模板化方法实现了 Suit[3]ane 的合成，证实了苯并三噻吩与空笼的强结合。实验显示，即使在100°C高温下长时间加热，这种看似不稳定的分子仍能保持稳定，不会发生分离，且未观察到客体与宿主的交换现象，表明灵活的突出肢足以维持 Suit[3]ane 在溶液中的机械稳定性。
Abstract
Suitanes are a class of mechanically interlocked molecules (MIMs) that consist of two components: a body with limbs protruding outward and a suit that fits appropriately around it, so that there is no easy way for the suit to be removed from the body. Herein, we report the synthesis and characterization of a suit[3]ane, which contains a benzotrithiophene derivative (THBTT) with three protruding hexyl chains as the body and a 3-fold symmetric, extended pyridinium-based cage, namely, HexaCage(6+), as the suit. Central to its realization is effective templation, provided by THBTT during cage formation, an observation that has been supported by the strong binding constant between benzotrithiophene (BTT) and the empty cage. The solid-state structure of the suit[3]ane reveals that the body is confined within the suit's cavity with its alkyl chains protruding outward through the orifices in the cage. Notably, such a seemingly unstable molecule, having three flexible alkyl chains as its only protruding limbs, does not dissociate after prolonged heating in CD3CN at 100 degrees C under pressure for 7 days. No evidence for guest exchange with the host was observed at this temperature in a 2:1 mixture of THBTT and HexaCage(6+) in CD3CN. The results indicate that flexible protruding limbs are sufficient for a suit[3]ane to remain mechanically stable even at high temperatures in solution.
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