Transformation of an Embedded Five-Membered Ring in Polycyclic Aromatic Hydrocarbons via the Hydrogen-Abstraction–Acetylene-Addition Mechanism: A Theoretical Study

2021 ◽  
Author(s):  
Alexander S. Semenikhin ◽  
Anna S. Savchenkova ◽  
Ivan V. Chechet ◽  
Sergey G. Matveev ◽  
Michael Frenklach ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Theoretical Study ◽  
Hydrogen Abstraction ◽  
Membered Ring ◽  
Polycyclic Aromatic

scholarly journals How to add a five-membered ring to polycyclic aromatic hydrocarbons (PAHs) – molecular mass growth of the 2-naphthyl radical (C10H7) to benzindenes (C13H10) as a case study

2019 ◽  
Vol 21 (30) ◽  
pp. 16737-16750 ◽  
Author(s):  
Long Zhao ◽  
Matthew Prendergast ◽  
Ralf I. Kaiser ◽  
Bo Xu ◽  
Utuq Ablikim ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Molecular Mass ◽  
Aromatic Hydrocarbons ◽  
Membered Ring ◽  
Growth Processes ◽  
Mass Growth ◽  
Aryl Radicals ◽  
Polycyclic Aromatic

The reaction of aryl radicals with allene/methylacetylene leads to five-membered ring addition in PAH growth processes.

scholarly journals Molecular growth of PAH-like systems induced by oxygen species: experimental and theoretical study of the reaction of naphthalene with HO (2Π3/2), O (3P), and O2 (3Σ−g)

RSC Advances ◽  
2015 ◽  
Vol 5 (48) ◽  
pp. 38581-38590 ◽  
Author(s):  
Marco Scapinello ◽  
Luca Matteo Martini ◽  
Paolo Tosi ◽  
Andrea Maranzana ◽  
Glauco Tonachini
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Gas Flow ◽  
Theoretical Study ◽  
Oxygen Species ◽  
Polycyclic Aromatic ◽  
Mass Increase

To assess if reactions with oxygen species can induce a mass increase of polycyclic aromatic hydrocarbons, we exposed naphthalene molecules to an oxidative gas flow containing the radicals H and HO (2Π3/2) and the diradicals O (3P) and O2 (3Σ−g).

Border Reactivity of Polycyclic Aromatic Hydrocarbons and Soot Platelets Toward Ozone. A Theoretical Study

2011 ◽  
Vol 115 (4) ◽  
pp. 470-481 ◽  
Author(s):  
Anna Giordana ◽  
Andrea Maranzana ◽  
Giovanni Ghigo ◽  
Mauro Causà ◽  
Glauco Tonachini
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Theoretical Study ◽  
Polycyclic Aromatic
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