Dispersion driven isomerism in sigma-bonded acene dimers

σ键并苯二聚体中的分散驱动异构现象

• 批准号: 271106968
• 负责人: Professor Dr. Holger Bettinger
• 金额: --
• 依托单位: Institut für Organische Chemie
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2015
• 资助国家: 德国
• 起止时间: 2014-12-31 至 2017-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/271106968?language=en
• 关键词: Dispersion; driven; isomerism; sigma; bonded

Dispersion interactions between aromatic pi systems are well known to be responsible for the poor solubility of large polycyclic aromatic hydrocarbons. These forces also hold the graphene sheets together in graphite. In covalently bound dimers of acenes, substructures of graphene, dispersion interactions between extended pi systems were predicted by computational means to be responsible for conformational isomerism between open and closed forms. The stiffness of the sigma system prevents formation of the closed forms of currently known acene dimers. The project aims at synthesis and computational study of acene dimers with well-defined lengths of the acene wings. The elongation starting from anthracene dimers allows adjusting the length of the acene wings and study the possible dispersion driven isomerism. Large bulky alkyl groups that may act as dispersion energy donors and solubilizing groups allow investigation of their possible influence on the photodimerization of anthracenes and on the dispersion driven isomerism of acene dimers.

众所周知，芳香π体系之间的分散相互作用是导致大多环芳香烃溶解度差的原因。这些力还将石墨中的石墨烯片固定在一起。在并苯的共价结合二聚体中，石墨烯的亚结构中，通过计算手段预测扩展π系统之间的分散相互作用是造成开放形式和封闭形式之间的构象异构现象的原因。西格玛系统的刚性阻止了目前已知的并苯二聚体的闭合形式的形成。该项目旨在合成和计算研究具有明确并苯翼长度的并苯二聚体。从蒽二聚体开始的延伸允许调整并苯翼的长度并研究可能的分散驱动异构现象。可以充当分散能量供体和增溶基团的大体积烷基允许研究它们对蒽的光二聚和并苯二聚体的分散驱动异构现象的可能影响。