Yan-Mei Jin, Dao-Fa Jiang, Ye Meng, Jie Gao, Jun Zheng, Pei-Hua Ma
{"title":"对称双环己六环脲[6]与1h -苯并三唑自组装包合物的晶体结构","authors":"Yan-Mei Jin, Dao-Fa Jiang, Ye Meng, Jie Gao, Jun Zheng, Pei-Hua Ma","doi":"10.1007/s10847-021-01076-4","DOIUrl":null,"url":null,"abstract":"<div><p>The host and guest supramolecular interactions between symmetric dicyclohexanocucurbit[6]uril (CyH<sub>2</sub>Q[6]) and 1<i>H</i>-benzotriazole (BTA) were investigated using nuclear magnetic resonance spectroscopy, isothermal titration calorimetry (ITC), MALDI-TOF mass spectrometry and single-crystal X-ray diffraction analysis. From the experimental results, it was concluded that there was a 1:1 mode of inclusion in BTA@CyH<sub>2</sub>Q[6]. In addition, the benzene ring of the BTA molecule entered the cavity of CyH<sub>2</sub>Q[6], while the triazole part was at the port of the CyH<sub>2</sub>Q[6], forming a supramolecular framework. According to ITC, the complexation process for BTA with CyH<sub>2</sub>Q[6] is exothermic and mainly driven by enthalpy.</p></div>","PeriodicalId":54324,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"100 3-4","pages":"209 - 215"},"PeriodicalIF":1.7000,"publicationDate":"2021-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s10847-021-01076-4","citationCount":"3","resultStr":"{\"title\":\"Crystal structure of self-assembled inclusion complex of symmetric dicyclohexanocucurbit[6]uril with 1H-benzotriazole\",\"authors\":\"Yan-Mei Jin, Dao-Fa Jiang, Ye Meng, Jie Gao, Jun Zheng, Pei-Hua Ma\",\"doi\":\"10.1007/s10847-021-01076-4\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The host and guest supramolecular interactions between symmetric dicyclohexanocucurbit[6]uril (CyH<sub>2</sub>Q[6]) and 1<i>H</i>-benzotriazole (BTA) were investigated using nuclear magnetic resonance spectroscopy, isothermal titration calorimetry (ITC), MALDI-TOF mass spectrometry and single-crystal X-ray diffraction analysis. From the experimental results, it was concluded that there was a 1:1 mode of inclusion in BTA@CyH<sub>2</sub>Q[6]. In addition, the benzene ring of the BTA molecule entered the cavity of CyH<sub>2</sub>Q[6], while the triazole part was at the port of the CyH<sub>2</sub>Q[6], forming a supramolecular framework. According to ITC, the complexation process for BTA with CyH<sub>2</sub>Q[6] is exothermic and mainly driven by enthalpy.</p></div>\",\"PeriodicalId\":54324,\"journal\":{\"name\":\"Journal of Inclusion Phenomena and Macrocyclic Chemistry\",\"volume\":\"100 3-4\",\"pages\":\"209 - 215\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2021-05-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1007/s10847-021-01076-4\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Inclusion Phenomena and Macrocyclic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10847-021-01076-4\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10847-021-01076-4","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Crystal structure of self-assembled inclusion complex of symmetric dicyclohexanocucurbit[6]uril with 1H-benzotriazole
The host and guest supramolecular interactions between symmetric dicyclohexanocucurbit[6]uril (CyH2Q[6]) and 1H-benzotriazole (BTA) were investigated using nuclear magnetic resonance spectroscopy, isothermal titration calorimetry (ITC), MALDI-TOF mass spectrometry and single-crystal X-ray diffraction analysis. From the experimental results, it was concluded that there was a 1:1 mode of inclusion in BTA@CyH2Q[6]. In addition, the benzene ring of the BTA molecule entered the cavity of CyH2Q[6], while the triazole part was at the port of the CyH2Q[6], forming a supramolecular framework. According to ITC, the complexation process for BTA with CyH2Q[6] is exothermic and mainly driven by enthalpy.
期刊介绍：
The Journal of Inclusion Phenomena and Macrocyclic Chemistry is the premier interdisciplinary publication reporting on original research into all aspects of host-guest systems. Examples of specific areas of interest are: the preparation and characterization of new hosts and new host-guest systems, especially those involving macrocyclic ligands; crystallographic, spectroscopic, thermodynamic and theoretical studies; applications in chromatography and inclusion polymerization; enzyme modelling; molecular recognition and catalysis by inclusion compounds; intercalates in biological and non-biological systems, cyclodextrin complexes and their applications in the agriculture, flavoring, food and pharmaceutical industries; synthesis, characterization and applications of zeolites.
The journal publishes primarily reports of original research and preliminary communications, provided the latter represent a significant advance in the understanding of inclusion science. Critical reviews dealing with recent advances in the field are a periodic feature of the journal.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
