Eclipsed and Twisted Excimers of Pyrene and 2-Azapyrene: How Nitrogen Substitution Impacts Excimer Emission

• Published in: Molecules (Basel, Switzerland) Vol. 29; no. 2; p. 507
• Main Authors: Dai, Yasi, Rambaldi, Filippo, Negri, Fabrizia
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 01.01.2024; MDPI
• Subjects: 2-azapyrene; Agreements; Carbon; Density functionals; excimer; exciton states; Hydrocarbons; Materials science; Nitrogen; polycyclic aromatic hydrocarbons; pyrene; Solvents; Specific gravity; TD-DFT; Frenkel excitons; charge transfer states; 2-azapyrene; diabatization; polycyclic aromatic hydrocarbons; exciton states; excimer; pyrene; TD-DFT

Due to their unique photophysical and electronic properties, pyrene and its analogues have been the subject of extensive research in recent decades. The propensity of pyrene and its derivatives to form excimers has found wide application in various fields. Nitrogen-substituted pyrene derivatives dis...