环己基取代瓜环与链状客体分子的超分子研究
发布时间：2018-07-28 18:17
【摘要】：瓜环是超分子领域继冠醚、环糊精及杯芳烃之后发现的一类新的大环化合物。由于其特殊的结构和潜在的应用前景,逐渐引起了国内外许多学者的关注与研究。然而,普通瓜环溶解性差,限制了对它的深入研究与应用,而环己基瓜环具有良好的溶解性,因此成为瓜环化学中研究的热点。本文在本课题组研究的基础上,合成了两种改性瓜环,即:对称二取代环己基六元瓜环Cy2Q[6]、全取代环己基六元瓜环Cy6Q[6],并利用核磁共振氢谱、等温量热滴定、单晶X-射线衍射分析等分析手段,考察了环己基取代瓜环与系列链状烷基胺类盐酸盐有机分子、系列多元胺盐酸盐轴材、系列烷基紫精卤化物的相互作用。具体研究内容如下:一,在文献调研的基础上,介绍了瓜环的起源、结构特征和应用前景;最后对本文的研究内容和研究意义作了简要介绍;二,合成了两种改性瓜环:Cy2Q[6]和Cy6Q[6],并用核磁共振对它们的结构进行了表征;三,通过核磁共振氢谱、X-射线单晶衍射、密度泛函理论和等温量热滴定等方法探讨了Cy2Q[6]和Cy6Q[6]与系列烷基二胺离子在液相、固相和气相下的主客体相互作用;四,利用核磁共振和等温量热滴定等方法探讨了Cy6Q[6]与系列多元胺盐酸盐轴材之间的主客体相互作用,得到了它们之间的包结状态、包结比、稳定常数、熵变和焓变等参数;制备了Cy6Q[6]与三种客体分子所形成的晶体,并用X-射线单晶衍射仪对其结构进行了表征;五,初步考察了Cy2Q[6]与系列烷基紫精衍生物的相互作用。研究表明,MV2+的部分吡啶环进入了瓜环空腔,而PV2+、BV2+、FV2+和HV2+的整个烷基链进入了瓜环空腔。
[Abstract]:Melon ring is a new macrocyclic compound found after crown ether cyclodextrin and calixarene in supramolecular domain. Because of its special structure and potential application prospect, it has gradually attracted the attention and research of many scholars at home and abroad. However, the poor solubility of the common melon ring limits its further research and application. Cyclohexyl melon ring has a good solubility, so it has become a hot spot in the field of ring chemistry. In this paper, two kinds of modified melon rings, Cy2Q [6] and Cy6Q [6], have been synthesized by means of hydrogen NMR spectroscopy and isothermal calorimetric titration, respectively, in which two kinds of modified melons have been synthesized: symmetrical disubstituted cyclohexyl hexagonal melons [6] and total substituted cyclohexyl hexagonal melons [6]. The interaction of cyclohexyl substituted melons with a series of chain alkylamine hydrochloride organic molecules, series of polyamine hydrochloric acid axes and series alkyl violet halides was investigated by single crystal X-ray diffraction analysis. The specific research contents are as follows: first, on the basis of literature research, introduced the origin, structural characteristics and application prospects of the melon ring; finally, briefly introduced the research content and significance of this paper; second, Two kinds of modified melons, Cy2Q [6] and Cy6Q [6], were synthesized and characterized by NMR. The interaction of Cy2Q [6] and Cy6Q [6] with series of alkylenediamine ions in liquid phase, solid phase and gas phase was studied by density functional theory and isothermal calorimetry. The host and guest interactions between Cy6Q [6] and a series of polyamine hydrochloride shafts were investigated by means of NMR and isothermal calorimetry. The inclusion state, inclusion ratio, stability constant, entropy change and enthalpy change were obtained. The crystals of Cy6Q [6] and three kinds of guest molecules were prepared and characterized by X-ray single crystal diffractometer. Fifth, the interaction between Cy2Q [6] and a series of alkyl violet derivatives was preliminarily investigated. The results showed that the pyridine ring of MV2 entered the ring cavity, while the alkyl chain of PV2 BV2 and HV2 entered the ring cavity.
【学位授予单位】：安徽工业大学
【学位级别】：硕士
【学位授予年份】：2017
【分类号】：O641.3
本文编号：2151195
[Abstract]:Melon ring is a new macrocyclic compound found after crown ether cyclodextrin and calixarene in supramolecular domain. Because of its special structure and potential application prospect, it has gradually attracted the attention and research of many scholars at home and abroad. However, the poor solubility of the common melon ring limits its further research and application. Cyclohexyl melon ring has a good solubility, so it has become a hot spot in the field of ring chemistry. In this paper, two kinds of modified melon rings, Cy2Q [6] and Cy6Q [6], have been synthesized by means of hydrogen NMR spectroscopy and isothermal calorimetric titration, respectively, in which two kinds of modified melons have been synthesized: symmetrical disubstituted cyclohexyl hexagonal melons [6] and total substituted cyclohexyl hexagonal melons [6]. The interaction of cyclohexyl substituted melons with a series of chain alkylamine hydrochloride organic molecules, series of polyamine hydrochloric acid axes and series alkyl violet halides was investigated by single crystal X-ray diffraction analysis. The specific research contents are as follows: first, on the basis of literature research, introduced the origin, structural characteristics and application prospects of the melon ring; finally, briefly introduced the research content and significance of this paper; second, Two kinds of modified melons, Cy2Q [6] and Cy6Q [6], were synthesized and characterized by NMR. The interaction of Cy2Q [6] and Cy6Q [6] with series of alkylenediamine ions in liquid phase, solid phase and gas phase was studied by density functional theory and isothermal calorimetry. The host and guest interactions between Cy6Q [6] and a series of polyamine hydrochloride shafts were investigated by means of NMR and isothermal calorimetry. The inclusion state, inclusion ratio, stability constant, entropy change and enthalpy change were obtained. The crystals of Cy6Q [6] and three kinds of guest molecules were prepared and characterized by X-ray single crystal diffractometer. Fifth, the interaction between Cy2Q [6] and a series of alkyl violet derivatives was preliminarily investigated. The results showed that the pyridine ring of MV2 entered the ring cavity, while the alkyl chain of PV2 BV2 and HV2 entered the ring cavity.
【学位授予单位】：安徽工业大学
【学位级别】：硕士
【学位授予年份】：2017
【分类号】：O641.3
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