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Spirobifluorene Dimers: Understanding How The Molecular Assemblies Drive The Electronic Properties

机译：SpiroBifluorene二聚体：了解分子组件如何驱动电子特性

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摘要

Spirobifluorene (SBF) is one of the most important scaffolds used in the design of organic semi-conductors (OSCs) for electronics. In recent years, among all the structures developed for these applications, SBF dimers have been highlighted due to their great potential in thermally activated delayed fluorescence and in phosphorescent organic light-emitting diodes. Attaching two SBF units generate 10 dimers, each possessing its own structural specificity, which in turn drives its electronic properties. These ten SBF dimers are gathered herein. Understanding how the molecular assembly determines the electronic properties has been one of the pillars of organic electronics. This is the goal of this article. As positional isomerism is a key tool to design OSCs, defining the design guidelines for the SBF scaffold appears of interest for the future of this building block. Herein, the importance of the two main parameters involved in the electrochemical and photophysical properties, namely the nature of the phenyl linkages and the steric congestion between the two SBF units is discussed. The combination of these two parameters drives the electronic properties but their respective weight is different as a function of the regioisomer involved or of the property considered (frontier orbitals energy level, absorption, fluorescence, phosphorescence).
机译：SpiroBifluorene（SBF）是用于电子产品的有机半导体（OSC）设计中最重要的支架之一。近年来，在为这些应用开发的所有结构中，由于其在热活化的延迟荧光和磷光有机发光二极管中的巨大潜力而​​突出了SBF二聚体。附加两个SBF单位产生10个二聚体，每个二维都具有自己的结构特异性，这反过来又驱动其电子特性。本文聚集了这十个SBF二聚体。了解分子组件如何确定电子特性一直是有机电子的支柱之一。这是本文的目标。随着位置异构性是设计OSC的关键工具，定义了SBF脚手架的设计指南出现了对该构建块的未来感兴趣的。这里，讨论了电化学和光物理性质中涉及的两个主要参数的重要性，即苯基键的性质和两个SBF单元之间的空间充血。这两个参数的组合驱动了电子性质，但它们各自的重量与所涉及的测量体或所考虑的性质（前轨道能量水平，吸收，荧光，磷光）的函数不同。

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