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Calix[4]arene‐Based Triple‐Stranded Metallohelicate in Water
Chemistry - An Asian Journal ( IF 4.1 ) Pub Date : 2020-11-02 , DOI: 10.1002/asia.202001154
Masayuki Morie 1 , Ryo Sekiya 1 , Takeharu Haino 1
Affiliation  

The title complex is a triple‐stranded metallohelicate organized by the self‐assembly of 5,17‐difunctionalized calix[4]arenes and metal cations with octahedral coordination geometry. Due to hydrophilic triethylene glycol chains on the lower rim of the calix[4]arene, the metallohelicate can encapsulate cationic guests in water. NMR and UV‐vis titration experiments reveal that the metallohelicate captures a pyridinium guest with an alanine derivative to form a host‐guest complex with a host‐guest ratio of 1 : 1. CD spectroscopy confirms the bias of the P‐ and M‐helical sense of the metallohelicate by the captured guest. The metallohelicate captures two molecules of dicationic N,N’‐dimethyl‐DABCO and monocationic N‐methyl quinuclidine, exhibiting a positive allosteric effect. 1H NMR titration experiments indicate that the bound guests are in close proximately to the aromatic rings of the ligands. Molecular mechanics calculations based on the UV‐vis and NMR observations suggest that the first guest preorganizes the conformation of the metallohelicate to facilitate access of the second guest to the cavity.

中文翻译:

杯中基于杯[4]芳烃的三链金属硅酸盐

标题复合物是由5,17-双官能化杯[4]芳烃和具有八面体配位几何形状的金属阳离子的自组装组织的三链金属螺旋。由于在杯[4]芳烃的下边缘具有亲水性的三乙二醇链,金属螺旋油酸盐可以将阳离子客体包裹在水中。NMR和UV-vis滴定实验表明,金属螺旋分子以丙氨酸衍生物捕获吡啶鎓客体,形成主体-客体比例为1:1的主体-客体复合物。CD光谱证实了P-M-螺旋的偏向。被捕获的客人对金属盐的感觉。金属螺旋捕获了两个分子,分别为NN'-二甲基-DABCO和单阳离子N-甲基奎宁环烷,表现出积极的变构作用。1 H NMR滴定实验表明,结合的客体紧邻配体的芳环。基于UV-vis和NMR观察的分子力学计算表明,第一客体预先组织了金属螺旋结构,以利于第二客体进入空腔。
更新日期:2021-01-04
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