Benzyne (o-benzyne, C6H4) is a fascinating molecule. The diradical 1 and the zwitterion 2 were suggested before the aryne structure 3 was universally adopted. Nevertheless, benzyne possesses a small but non-negligible singlet biradi-cal character. Therefore, a proper quantum-chemical description requires multireference methods. This becomes even more important for the tridehydro- (e.g. 4) and tetradehydrobenzenes (benzdiynes) (e.g. 5) as illustrated by the several mesomeric structures for 5 shown below. The chemistry, direct spectroscopic observation, thermochemistry and quantum chemical calculations of these species are described thoroughly in three substantial papers by Winkler and Sander (Bochum), Sato and Niino (Tsukuba) and Wenthold (Purdue), in the July issue of Aust.J. Chem.
展开▼
机译：Benzyne（邻苯并，C6H4）是一种引人入胜的分子。在普遍采用芳烃结构3之前，提出了双自由基1和两性离子2。然而，苯并炔具有小的但不可忽略的单重双峰特征。因此，正确的量子化学描述需要多参考方法。如以下所示的5的几个介观结构所示，这对于三氢-（例如4）和四氢-苯（苯并二炔）（例如5）变得更加重要。 Winkler and Sander（Bochum），Sato and Niino（Tsukuba）和Wenthold（Purdue）的三篇实质性论文在Aust.J的七月号上彻底描述了这些物种的化学，直接光谱观察，热化学和量子化学计算。 。化学
展开▼
