Dispersion driven isomerism in sigma-bonded acene dimers

众所周知，芳香族聚酰亚胺体系之间的分散相互作用是导致大分子多环芳烃溶解性差的原因。这些力也将石墨中的石墨烯薄片结合在一起。在石墨烯的共价结合二聚体、石墨烯的亚结构中，扩展pi体系之间的分散相互作用是开放形式和闭合形式之间构象异构化的主要原因。西格玛体系的刚性防止形成目前已知的烯二聚体的闭合形式。该项目的目的是合成和计算研究具有明确长度的双烯翅膀的双烯。从菲二聚体开始的伸长可以调整并苯的翅膀长度，并研究可能的色散驱动的异构体。可以作为分散能量供体和增溶基团的大体积烷基可以研究它们对菲的光二聚反应和并二烯二聚体色散驱动的异构化的可能影响。

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.