Chromium- and Cobalt-Catalyzed, Regiocontrolled Hydrogenation of Polycyclic Aromatic Hydrocarbons: A Combined Experimental and Theoretical Study

2019 ◽  
Vol 141 (22) ◽  
pp. 9018-9026 ◽  
Author(s):  
Bo Han ◽  
Pengchen Ma ◽  
Xuefeng Cong ◽  
Hui Chen ◽  
Xiaoming Zeng
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Theoretical Study ◽  
Polycyclic Aromatic

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

Aggregation Effects on Photophysical Properties of NBN-Doped Polycyclic Aromatic Hydrocarbons: A Theoretical Study

2021 ◽  
Author(s):  
Yi Zeng ◽  
Junfang Yang ◽  
Xiaoyan Zheng
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Theoretical Study ◽  
Photophysical Properties ◽  
Structure Property ◽  
Vital Importance ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Polycyclic Aromatic ◽  
Boron Nitrogen

To realize the precise munipulation of the optoelectrical properties of boron–nitrogen (B–N) unit-doped Polycyclic aromatic hydrocarbons (PAHs), unraveling the structure-property relationship behind is of vital importance. In this work, we...

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