Isomerization of dehydrofulvene radicals to the phenyl radical, and application to the growth of polycyclic aromatic hydrocarbons

2011 ◽  
Vol 112 (8) ◽  
pp. 1959-1967 ◽  
Author(s):  
Xavier Lories ◽  
Jacques Vandooren ◽  
Daniel Peeters
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Phenyl Radical ◽  
Polycyclic Aromatic

scholarly journals Formation of bicyclic polycyclic aromatic hydrocarbons (PAHs) from the reaction of a phenyl radical with cis-3-penten-1-yne

RSC Advances ◽  
2018 ◽  
Vol 8 (24) ◽  
pp. 13226-13236 ◽  
Author(s):  
Mingrui Wei ◽  
Tingting Zhang ◽  
Xianfeng Chen ◽  
Fuwu Yan ◽  
Guanlun Guo ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Aromatic Hydrocarbons ◽  
Energy Surface ◽  
Phenyl Radical ◽  
Polycyclic Aromatic

The formation of PAHs within 4-, 5-, 6- and 7-membered rings on the C6H5 + C5H6 potential energy surface.

scholarly journals Formation of polycyclic aromatic hydrocarbons from bimolecular reactions of phenyl radicals at high temperatures

2015 ◽  
Vol 17 (43) ◽  
pp. 29064-29071 ◽  
Author(s):  
P. Constantinidis ◽  
H.-C. Schmitt ◽  
I. Fischer ◽  
B. Yan ◽  
A. M. Rijs
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
High Temperatures ◽  
Aromatic Hydrocarbons ◽  
The Self ◽  
Phenyl Radical ◽  
Phenyl Radicals ◽  
Combustion Chemistry ◽  
Bimolecular Reactions ◽  
Polycyclic Aromatic

The self-reaction of the phenyl radical is one of the key reactions in combustion chemistry.

The Assessment of Contamination and Source of Polycyclic Aromatic Hydrocarbons from the Sediments of the Someş River

2019 ◽  
Vol 64 (1) ◽  
pp. 55-67
Author(s):  
Vlad Pӑnescu ◽  
◽  
Mihaela Cӑtӑlina Herghelegiu ◽  
Sorin Pop ◽  
Mircea Anton ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Polycyclic Aromatic

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>

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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