螺烯类分子在石墨表面自组装结构的STM研究

发布时间：2018-03-02 16:41

本文选题：噻吩螺烯　切入点：分子模板　出处：《北京交通大学》2017年硕士论文　论文类型：学位论文

【摘要】：双螺烯类化合物和树枝状噻吩化合物具有优异的性能,研究其二维纳米自组装结构不仅对于理解其性能有帮助,而且将为特定功能的分子设计提供支持。本论文以分子的纳米结构为研究对象,以扫描隧道显微镜(STM)技术为研究手段,结合密度泛函理论计算,研究了双螺烯类化合物和树枝状噻吩化合物在石墨表面的组装结构。主要内容如下:一、双螺烯化合物在石墨中的组装结构。本论文选择两种螺烯分子,分别为(TMS)2-[7]螺烯(C1)和双螺烯(X1)。这两个分子都具有双螺旋立体结构,因此很难稳定地吸附在石墨表面上。为了解决这一问题,本论文引入苯三氧十一酸(TCDB)作为分子模板剂,在石墨上与螺烯分子形成主客体系共吸附。其中,C1分子可以与模板剂共同组装形成两种主客体构形。STM图像显示,这两种组装阵列在组装方向上存在很大的差别。另外,X1分子与模板剂只能组装形成一种主客体组装结构。结果表明,模板将原本难以吸附在石墨上具有立体构型的分子固定在模板分子的空腔,使其成功在STM上成像并进一步研究目标分子的组装机制。该工作为界面手性组装、螺烯类化合物的组装研究提供了一种有效方法。二、树枝状噻吩化合物在模板剂中的组装阵列。环八四噻吩(COTh)和α,α,α,α-四芳基-四噻吩八元环化合物(COThP)两个分子都具有“马鞍”型立体结构。为了能使目标分子稳定吸附在石墨上,采用TCDB作为主体分子形成有序网格结构固定客体分子COTh和COThP。STM图像显示,COTh/TCDB和COThP/TCDB组装形成了稳定的双组分二维结构。这项工作为在固/液界面构筑树枝状噻吩化合物组装阵列以及主客体组装体系的应用提出一种可行的方法。
[Abstract]:Double helical alkenes and dendrimers of thiophene compounds have excellent performance, to study the two-dimensional nano self-assembly structure not only to understand the performance of help, and the molecular design for specific function support. The nano molecular structure as the research object, using scanning tunneling microscopy (STM) techniques. Combined with density functional theory calculations, studied the dual helicene compounds and dendritic thiophene compounds in the assembly structure of graphite. The main contents are as follows: first, the assembled structure of double helicene in graphite. The paper chooses two kinds of helicenes, respectively (TMS) 2-[7] (C1) and helicene double helicene (X1). These two molecules have double helix three-dimensional structure, so it is difficult to stably adsorbed on the graphite surface. In order to solve this problem, this paper introduced three eleven benzene oxygen acid (TCDB) as a molecular template in stone Ink and helicene molecule to form host guest system. The CO adsorption, C1 molecules can be assembled together with the template to form two main object configuration.STM image display, the two assembled there is a big difference in the assembly direction. In addition, the X1 molecule and the template can only be assembled to form a host guest assembly structure. The results show that the template will be otherwise difficult molecules with a stereo structure on graphite fixed cavity in the template molecule, the successful imaging and further study the target molecule in the STM assembly mechanism. This work is the interface of chiral assembly, provides an effective method for assembling of helicene compounds. Two, array assembly dendritic thiophene compounds in template. In 84 thiophene rings (COTh) and alpha, alpha, alpha, alpha four aryl - four thiophene eight membered ring compounds (COThP) molecule has two saddle type three-dimensional structure. In order to make The target molecule stable adsorption on graphite, using TCDB as host molecules to form an orderly grid structure of fixed object molecules COTh and COThP.STM images show that the COTh/TCDB and COThP/TCDB assembly formed a two-component two-dimensional structure. This work is in the solid / liquid interface to build the dendritic array and application of thiophene compounds assembled host guest assembly system is put forward a feasible method.

【学位授予单位】：北京交通大学
【学位级别】：硕士
【学位授予年份】：2017
【分类号】：O613.71;O641.3

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