Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril,Organic Chemistry Frontiers

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Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril
Organic Chemistry Frontiers ( IF 4.6 ) Pub Date : 2017-06-12 00:00:00 , DOI: 10.1039/c7qo00376e
Yun-Xia Qu _{1,

2,

3,

4} , Rui-Lian Lin _{4,

5,

6,

7} , Yun-Qian Zhang _{1,

2,

3,

4} , Kai-Zhi Zhou _{1,

2,

3,

4} , Qing-Di Zhou _{8,

9,

10} , Qian-Jiang Zhu _{1,

2,

3,

4} , Zhu Tao _{1,

2,

3,

4} , Pei-Hua Ma _{1,

2,

3,

4} , Jing-Xin Liu _{4,

5,

6,

7} , Gang Wei _{8,

9,

10}

Affiliation

The binding interactions of CyP₆Q[6] with a series of alkyl diammonium (⁺H₃N(CH₂)_nNH₃⁺, n = 2, 4, 6, 8, 10, 12) and aryl diammonium (p-phenylenediammonium and p-xylenediammonium) ions both in aqueous solution and in the solid state have been studied by ¹H NMR spectroscopy, X-ray crystallography, and isothermal titration calorimetry (ITC) techniques. ¹H NMR data indicate that all guests exhibit endo binding with CyP₆Q[6] except for the ethanediammonium ion, which bound exo to CyP₆Q[6]. p-Xylenediammonium ions show mixed behavior (exo and endo binding with CyP₆Q[6]). X-ray crystallography clearly displays the extended and contorted conformations of the guests when bound within CyP₆Q[6]. The ITC study points out that the CyP₆Q[6] complex formations with all guests are mainly driven by enthalpy, which arises from the ion–dipole interactions and the hydrophobic effects.

中文翻译：

环戊anocucurbit [6]尿嘧啶对烷基和芳基二铵离子的内/外结合

的CyP的结合相互作用₆ Q [6]与一系列烷基二铵（的⁺ ħ ₃ N（CH ₂）_Ñ NH ₃⁺，Ñ = 2,4，6，8，10，12）和芳基二铵（p -通过¹ H NMR光谱，X射线晶体学和等温滴定量热（ITC）技术研究了水溶液中和固态的苯二铵和对二甲苯二铵离子。¹ H NMR数据表明，除乙烷二铵离子外，所有客人均显示出与CyP ₆ Q [6]的内结合。到CyP ₆ Q [6]。p -Xylenediammonium离子显示混合行为（外切和内切用的CyP结合₆ Q [6]）。当结合在CyP ₆ Q [6]中时，X射线晶体学清楚地显示了客体的延伸和扭曲构象。ITC研究指出，所有客体的CyP ₆ Q [6]复合物形成主要是由焓驱动的，该焓是由离子-偶极相互作用和疏水作用引起的。

更新日期：2017-08-23

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