Unifac modeling of multicomponent nonaqueous phase liquids containing polycyclic aromatic hydrocarbons

1999 ◽  
Vol 18 (3) ◽  
pp. 426-429 ◽  
Author(s):  
Catherine A. Peters ◽  
Suparna Mukherji ◽  
Walter J. Weber
2003 ◽  
Vol 37 (13) ◽  
pp. 2988-2996 ◽  
Author(s):  
Marta Garcia-Junco ◽  
Cesar Gomez-Lahoz ◽  
Jose-Luis Niqui-Arroyo ◽  
José-Julio Ortega-Calvo

2011 ◽  
Vol 45 (3) ◽  
pp. 1074-1081 ◽  
Author(s):  
M. C. Tejeda-Agredano ◽  
S. Gallego ◽  
J. L. Niqui-Arroyo ◽  
J. Vila ◽  
M. Grifoll ◽  
...  

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

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett

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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