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，芳香族PI系统之间的分散相互作用是导致大型多环芳族烃的溶解度差的原因。这些力还将石墨烯片放在石墨中。在共价结合的牙齿二聚体中，石墨烯的亚结构，通过计算手段预测扩展PI系统之间的分散相互作用，以负责开放和封闭形式之间的构象异构主义。 Sigma系统的刚度防止形成当前已知的乙烯二聚体的封闭形式。该项目的目的是对具有明确定义的氨基机翼长度的苯二聚体的合成和计算研究。从蒽二聚体开始的伸长率允许调节苯翅膀的长度，并研究可能的分散驱动的异构主义。可以充当分散能供体和溶解基团的大型笨重的烷基允许研究其对炭疽烯的光二聚化的影响以及对乙烯二聚体的分散驱动的异构主义的影响。