Extended Aromatic Materials Centred Around Tropylium

以 Tropyium 为中心的扩展芳香材料

• 批准号: 2498039
• 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: 2020
• 资助国家: 英国
• 起止时间: 2020 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2498039
• 关键词: Extended; Aromatic; Materials; Centred; Around

Polycyclic aromatic materials have garnered a significant amount of interest since the discovery of graphene, due to their desirable properties and potential applications in optoelectronic materials. While defect-free graphene is entirely planar, the inclusion of non-hexagonal rings can often cause it to deviate from planarity, resulting in geodesic fragments (with positive Gaussian curvature) or saddle-shaped fragments (with negative Gaussian curvature). Typically, the former is accomplished by inclusion of five-membered ring defects, while the latter is accomplished through larger ring defects (heptagons, octagons, etc.). Specifically, the strategic inclusion of cycloheptatrienes allows for oxidation to tropyliums, which gives rise to a novel class of charged polycyclic aromatics. However, little is known about the steric and electronic impacts of including tropyliums in extended aromatic materials. This PhD project investigates the synthesis, modelling and properties of a series of highly substituted tropyliums, which can be considered intermediates towards a tropylium-embedded warped nanographene.

自石墨烯发现以来，多环芳香族材料由于其理想的性能和在光电材料中的潜在应用而引起了人们的极大兴趣。虽然无缺陷的石墨烯完全是平面的，但包含非六边形环通常会使其偏离平面，从而产生测地线碎片（具有正高斯曲率）或鞍形碎片（具有负高斯曲率）。通常，前者是通过包含五元环缺陷来实现的，而后者是通过更大的环缺陷（七元、八角形等）来实现的。具体地说，环庚三烯的战略性包涵允许氧化成tropyliums，从而产生一类新的带电多环芳烃。然而，对于在扩展芳香材料中加入tropylium的空间和电子影响知之甚少。这个博士项目研究了一系列高取代的tropyliums的合成、建模和性质，它们可以被认为是嵌入tropyliums的翘曲纳米石墨烯的中间体。