Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled.
Restricted rotation in 9-phenyl-anthracenes: a prediction fulfilled.
复制标题
9-苯基蒽的旋转受限：预言实现了。
DOI：
10.1021/ol102665y
复制
发表时间：
2011
期刊：
影响因子：
5.2
通讯作者：
M. McGlinchey
中科院分区：
文献类型：
--
作者：
K. Nikitin;H. Müller‐Bunz;Y. Ortin;J. Muldoon;M. McGlinchey
据报道，计算的9-苯基蒽的苯基旋转势垒为~21 kcal mol（-1），但由于其固有的对称性，对该势垒的实验验证受到限制。V-T NMR表明9，10-双（3-氟苯基）蒽的顺式（C（2 v））和反式（C（2 h））旋转异构体的互变势垒为~21 kcal mol（-1）。同样，9-（1-萘基）-10-苯基蒽的V-T NMR谱表明，未取代的苯环的转动势垒至少为21 kcal mol（-1）。
The calculated phenyl rotation barrier in 9-phenylanthracene has been reported as ~21 kcal mol(-1), but experimental verification of this barrier is limited by its intrinsic symmetry. V-T NMR indicated the barrier to interconversion of the syn (C(2v)) and anti (C(2h)) rotamers of 9,10-bis(3-fluorophenyl)anthracene to be ~21 kcal mol(-1). Likewise, the V-T NMR spectra of 9-(1-naphthyl)-10-phenylanthracene reveal that the rotational barrier of the unsubstituted phenyl ring is at least 21 kcal mol(-1).