Flash Communication: Synthesis and Characterization of a 9,10-Distiba-Dewar-anthracene

A 9,10-distiba-Dewar-anthracene
bearing bulky substituents
was
obtained by the reduction of the corresponding 5,10-dichloro-5,10-dihydrostibanthrene.
Molecular structures of the 9,10-distiba-Dewar-anthracene and 5,10-dichloro-5,10-dihydrostibanthrene
have been definitively revealed by single-crystal X-ray crystallographic
analyses and discussed based on theoretical calculations. Computational
studies suggest that 9,10-distiba-Dewar-anthracene is thermodynamically
favorable relative to the corresponding 9,10-distibaanthracene derivative.

本研究通过还原相应的5,10-二氯-5,10-二氢锑蒽（5,10-dichloro-5,10-dihydrostibanthrene），成功制备得到一种带有大位阻取代基的9,10-二锑-Dewar-蒽（9,10-distiba-Dewar-anthracene）。借助单晶X射线衍射分析，明确了9,10-二锑-Dewar-蒽与5,10-二氯-5,10-二氢锑蒽的分子结构，并结合理论计算对其结构特征展开了讨论。计算研究表明，相较于对应的9,10-二锑蒽衍生物，9,10-二锑-Dewar-蒽具备更优异的热力学稳定性。