Dispersion driven isomerism in sigma-bonded acene dimers

众所周知，芳香族π系统之间的分散相互作用是大的多环芳烃的溶解度差的原因。这些力也将石墨烯片保持在石墨中。在共价结合的二聚体的并苯，石墨烯的子结构，分散体之间的相互作用扩展π系统预测通过计算手段负责开放和封闭形式之间的构象异构。σ系统的刚性防止了目前已知的并苯二聚体的封闭形式的形成。该项目旨在合成并苯二聚体，并具有明确定义的并苯翼长度。从蒽二聚体开始的伸长允许调节并苯翼的长度并研究可能的分散驱动的异构现象。大体积的烷基基团，可以作为分散体的能量供体和增溶基团允许调查他们可能的影响，蒽的光二聚和分散驱动异构的并苯二聚体。

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.