Warped Aromatic Cations: Synthesis and Material Properties.

扭曲的芳香族阳离子：合成和材料特性。

• 批准号: 1771687
• 金额: --
• 依托单位: Durham University
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2016
• 资助国家: 英国
• 起止时间: 2016 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-1771687
• 关键词: Warped; Aromatic; Cations; Synthesis; Material

An unprecedented family of compounds will be prepared and studied that contain positively charged 'seven-membered ring defects' at the centre of their extended, graphene-like aromatic structures, giving rise to unusual opto-electronic properties.This research project will employ a broad range of experimental techniques in organic synthesis and structural analysis in order to prepare and study the target molecules, working towards the following objectives. [1] Synthesis of substituted cycloheptatrienes using Diels-Alder chemistry that is currently being developed in the McGonigal Group. [2] Oxidation to form the warped aromatic cations, performed either using chemical reagents or electrochemical potential. [3] DFT modelling to understand the relationship between structural modifications and material properties. [4] Spectroscopic investigations (NMR, IR) of the dynamic properties (ring flipping) of the warped aromatics in solution. [5] Investigation of optoelectronic properties using UV-vis spectroscopy, cyclic voltammetry and spectroelectrochemical techniques.

本研究将制备和研究一系列前所未有的化合物，这些化合物在其延伸的石墨烯状芳香结构的中心含有带正电荷的“七元环缺陷”，从而产生不寻常的光电性能。本研究项目将采用有机合成和结构分析的广泛实验技术，以制备和研究目标分子，致力于以下目标。[1]使用McGonigal Group目前正在开发的Diels-Alder化学合成取代的环庚三烯。[2]氧化以形成弯曲的芳香族阳离子，使用化学试剂或电化学电势进行。[3]DFT建模，以了解结构修饰和材料性能之间的关系。[4]溶液中翘曲芳烃的动态性质（环翻转）的光谱研究（NMR，IR）。[5]利用紫外-可见光谱、循环伏安和光谱电化学技术研究光电性质。

项目成果

Modulation of charge transfer by N-alkylation to control photoluminescence energy and quantum yield.

• DOI: 10.1039/d0sc02460k
• 发表时间: 2020-06-09
• 期刊: Chemical science
• 影响因子: 8.4
• 作者: Turley AT;Danos A;Prlj A;Monkman AP;Curchod BFE;McGonigal PR;Etherington MK
• 通讯作者: Etherington MK

Control of Porphyrin Planarity and Aggregation by Covalent Capping: Bissilyloxy Porphyrin Silanes

通过共价封端控制卟啉平面性和聚集：双硅氧基卟啉硅烷

• DOI: 10.1021/acs.inorgchem.0c01891
• 发表时间: 2020
• 期刊: Inorganic Chemistry
• 影响因子: 4.6
• 作者: Hussein B