Design of Novel Stereoisomers by Using Narrow Space in π-System Rigid Frameworks

我们设计了由蒽单元和乙炔（或二乙炔）连接剂组成的刚性环化合物作为新的π共轭化合物。基于环骨架与环内取代基之间的空间位阻，我们分离出了一些新的立体异构体（非对映体和对映体）。通过x射线分析、核磁共振谱和DFT计算研究了这些异构体的结构和动力学行为。我们通过这种分子设计提出了立体化学的新概念。

We designed rigid cyclic compounds consisting of anthracene units and acetylene (or diacetylene) linkers as new π-conjugated compounds. Substituents were introduced at inner congested positions, and we isolated some novel stereoisomers (diastereomers and enantiomers) based on the steric hindrance between the ring framework and the intraannular substituents. The structures and dynamic behavior of these isomers were investigated by X-ray analysis, NMR spectra, and DFT calculations. We propose a new concept of stereochemistry through this molecular design.