Theoretical study of the electronic spectra of a polycyclic aromatic hydrocarbon, naphthalene, and its derivatives

1993 ◽  
Vol 173 (3) ◽  
pp. 421-437 ◽  
Author(s):  
Ping Du ◽  
Farid Salama ◽  
Gilda H. Loew
Keyword(s):  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Spectra ◽  
Theoretical Study ◽  
Polycyclic Aromatic

Polycyclic aromatic hydrocarbon formation mechanism in the “particle phase”. A theoretical study

2010 ◽  
Vol 12 (32) ◽  
pp. 9429 ◽  
Author(s):  
Antonius Indarto ◽  
Anna Giordana ◽  
Giovanni Ghigo ◽  
Andrea Maranzana ◽  
Glauco Tonachini
Keyword(s):  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Formation Mechanism ◽  
Theoretical Study ◽  
Particle Phase ◽  
Polycyclic Aromatic ◽  
Hydrocarbon Formation

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

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