Foroutan-Nejad Cina, Ghosh Abhik
CEITEC - Central European Institute of Technology, Masaryk University, Kamenice 5, CZ-62500 Brno, Czech Republic.
Department of Chemistry and Center for Theoretical and Computational Chemistry, UiT - The Arctic University of Norway, 9037 Tromsø, Norway.
ACS Omega. 2018 Nov 21;3(11):15865-15869. doi: 10.1021/acsomega.8b02626. eCollection 2018 Nov 30.
A recent study on magnetically induced currents in 10-isocorrole derivatives indicated that both the free-base and metal-complexed forms of the unsubstituted macrocycle are homoaromatic. Furthermore, depending on the substituents at the 10-position, the aromatic character was found to swing between substantially homoaromatic to substantially antihomoaromatic. Heteroisocorroles, in which the saturated 10-position has been replaced by a heteroatom-containing group X, are predicted to exhibit even more dramatic variations in aromatic character, ranging from strongly aromatic (X = O, NH, PH, and S) to strongly antiaromatic (X = BH and CO). Interestingly, the experimentally studied X = SiMe case does not appear to sustain a significant global ring current.
最近一项关于10-异方酸卟啉衍生物中磁感应电流的研究表明，未取代大环的游离碱形式和金属络合形式均为同芳香性。此外，根据10位上的取代基，发现芳香性在基本上是同芳香性到基本上是反同芳香性之间变化。杂异方酸卟啉中饱和的10位已被含杂原子基团X取代，预计其芳香性会有更显著的变化，范围从强芳香性（X = O、NH、PH和S）到强反芳香性（X = BH和CO）。有趣的是，实验研究的X = SiMe情况似乎没有维持显著的整体环电流。
