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A Study of the Interaction Between Cucurbit[8]uril and Alkyl‐Substituted 4‐Pyrrolidinopyridinium Salts
Chemistry - An Asian Journal ( IF 4.1 ) Pub Date : 2018-12-06 , DOI: 10.1002/asia.201801498
Weitao Xu 1 , Jinglan Kan 2 , Bo Yang 1 , Timothy J. Prior 3 , Bing Bian 4 , Xin Xiao 1 , Zhu Tao 1 , Carl Redshaw 3
Affiliation  

The interaction between cucuribit[8]uril (Q[8]) and a series of 4‐pyrrolidinopyridinium salts bearing aliphatic substituents at the pyridinium nitrogen, namely 4‐(C4H8N)C5H5NRBr, where R=Et (g1), n‐butyl (g2), n‐pentyl (g3), n‐hexyl (g4), n‐octyl (g5), n‐dodecyl (g6), has been studied in aqueous solution by 1H NMR spectroscopy, electronic absorption spectroscopy, isothermal titration calorimetry and mass spectrometry. Single crystal X‐ray diffraction revealed the structure of the host–guest complexes for g1, g2, g3, and g5. In each case, the Q[8] contains two guest molecules in a centrosymmetric dimer. The orientation of the guest molecule changes as the alkyl chain increases in length. Interestingly, in the solid state, the inclusion complexes identified are different from those observed in solution, and furthermore, in the case of g3, Q[8] exhibits two different interactions with the guest. In solution, the length of the alkyl chain plays a significant role in determining the type of host–guest interaction present.

中文翻译:

葫芦[8]尿素与烷基取代的4-吡咯烷基吡啶并吡啶鎓盐之间相互作用的研究

cuucuribit [8] uril(Q [8])与一系列在吡啶鎓氮原子上带有脂肪族取代基的4-吡咯烷基吡啶鎓盐之间的相互作用,即4-(C 4 H 8 N)C 5 H 5 NRBr,其中R = Et (g1),丁基(g2),戊基(g3),己基(g4),辛基(g5),十二烷基(g6)在水溶液中的研究比例为11 H NMR光谱,电子吸收光谱,等温滴定量热法和质谱。单晶X射线衍射揭示了g1,g2,g3和g5的主体-客体复合物的结构。在每种情况下,Q [8]在一个中心对称的二聚体中包含两个客体分子。客体分子的方向随烷基链长度的增加而变化。有趣的是,在固态下,鉴定出的包合物与溶液中观察到的不同,此外,在g3的情况下,Q [8]与客体表现出两种不同的相互作用。在溶液中,烷基链的长度在决定目前存在的主客体相互作用类型中起着重要作用。
更新日期:2018-12-06
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