Extended Aromatic Materials Centred Around Tropylium

自石墨烯被发现以来，多环芳香族材料由于其理想的性质和在光电材料中的潜在应用而引起了大量的兴趣。虽然无缺陷的石墨烯是完全平面的，但包含非六边形环通常会导致其偏离平面性，导致测地线片段（具有正高斯曲率）或鞍形片段（具有负高斯曲率）。通常，前者通过包含五元环缺陷来实现，而后者通过较大的环缺陷（七边形、八边形等）来实现。具体而言，环庚三烯的战略性包含允许氧化为tropyliums，这产生了一类新的带电多环芳烃。然而，很少有人知道的空间和电子的影响，包括tropyliums在扩展的芳香族材料。这个博士项目研究了一系列高度取代的tropylium的合成，建模和性质，这些tropylium可以被认为是tropylium嵌入的扭曲纳米石墨烯的中间体。

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.