Predicting the Outcome of Photocyclisation Reactions: A Joint Experimental and Computational Investigation

• Published in: Chemistry, an Asian journal Vol. 14; no. 8; pp. 1293 - 1303
• Main Authors: Wonanke, A. D. Dinga, Ferguson, Jayne L., Fitchett, Christopher M., Crittenden, Deborah L.
• Format: Journal Article
• Language: English
• Published: Germany Wiley Subscription Services, Inc 15.04.2019
• Subjects: ab initio calculations; Aromatic compounds; Charge distribution; Chemistry; Computation; Functional groups; Indoles; Mathematical models; oxidative cyclodehydrogenation; Photochemical reactions; photocyclization; Photoexcitation; photoplanarization; Pyrroles; reactivity predictor; Substitution reactions; ab initio calculations; reactivity predictor; photoplanarization; oxidative cyclodehydrogenation; photocyclization

Photochemical oxidative cyclodehydrogenation reactions are a versatile class of aromatic ring‐forming reactions. They are tolerant to functional group substitution and heteroatom inclusion, so can be used to form a diverse range of extended polyaromatic systems by fusing existing ring substituents....