本文選題：噻吩螺烯　切入點(diǎn)：分子模板　出處：《北京交通大學(xué)》2017年碩士論文　論文類型：學(xué)位論文

【摘要】：雙螺烯類化合物和樹枝狀噻吩化合物具有優(yōu)異的性能,研究其二維納米自組裝結(jié)構(gòu)不僅對(duì)于理解其性能有幫助,而且將為特定功能的分子設(shè)計(jì)提供支持。本論文以分子的納米結(jié)構(gòu)為研究對(duì)象,以掃描隧道顯微鏡(STM)技術(shù)為研究手段,結(jié)合密度泛函理論計(jì)算,研究了雙螺烯類化合物和樹枝狀噻吩化合物在石墨表面的組裝結(jié)構(gòu)。主要內(nèi)容如下:一、雙螺烯化合物在石墨中的組裝結(jié)構(gòu)。本論文選擇兩種螺烯分子,分別為(TMS)2-[7]螺烯(C1)和雙螺烯(X1)。這兩個(gè)分子都具有雙螺旋立體結(jié)構(gòu),因此很難穩(wěn)定地吸附在石墨表面上。為了解決這一問題,本論文引入苯三氧十一酸(TCDB)作為分子模板劑,在石墨上與螺烯分子形成主客體系共吸附。其中,C1分子可以與模板劑共同組裝形成兩種主客體構(gòu)形。STM圖像顯示,這兩種組裝陣列在組裝方向上存在很大的差別。另外,X1分子與模板劑只能組裝形成一種主客體組裝結(jié)構(gòu)。結(jié)果表明,模板將原本難以吸附在石墨上具有立體構(gòu)型的分子固定在模板分子的空腔,使其成功在STM上成像并進(jìn)一步研究目標(biāo)分子的組裝機(jī)制。該工作為界面手性組裝、螺烯類化合物的組裝研究提供了一種有效方法。二、樹枝狀噻吩化合物在模板劑中的組裝陣列。環(huán)八四噻吩(COTh)和α,α,α,α-四芳基-四噻吩八元環(huán)化合物(COThP)兩個(gè)分子都具有“馬鞍”型立體結(jié)構(gòu)。為了能使目標(biāo)分子穩(wěn)定吸附在石墨上,采用TCDB作為主體分子形成有序網(wǎng)格結(jié)構(gòu)固定客體分子COTh和COThP。STM圖像顯示,COTh/TCDB和COThP/TCDB組裝形成了穩(wěn)定的雙組分二維結(jié)構(gòu)。這項(xiàng)工作為在固/液界面構(gòu)筑樹枝狀噻吩化合物組裝陣列以及主客體組裝體系的應(yīng)用提出一種可行的方法。
[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.

【學(xué)位授予單位】：北京交通大學(xué)
【學(xué)位級(jí)別】：碩士
【學(xué)位授予年份】：2017
【分類號(hào)】：O613.71;O641.3

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本文編號(hào)：1557331