Formation pathways of polycyclic aromatic hydrocarbons (PAHs) in butane or butadiene flames

The reaction pathways from phenyl radicals to phenanthrene (A3) and pyrene (A4) via C2H3 and C4H4 additions were investigated using the G3(MP2, CC) method.

Modulating the radical reactivity of phenyl radicals with the help of distonic charges: it is all about electrostatic catalysis

This manuscript reports the electrostatic nature of the modulation of H-abstraction reactivity of phenyl radicals by (positive and negative) distonic ions.

From benzene to naphthalene: direct measurement of reactions and intermediates of phenyl radicals and acetylene

First-time measurement of time evolution of the main products and critical intermediates on phenyl HACA pathways with a validated pressure-dependent model.

Formation of 2- and 1-methyl-1,4-dihydronaphthalene isomers via the crossed beam reactions of phenyl radicals (C6H5) with isoprene (CH2C(CH3)CHCH2) and 1,3-pentadiene (CH2CHCHCHCH3)

Crossed molecular beam reactions were exploited to elucidate the chemical dynamics of the reactions of phenyl radicals with isoprene and with 1,3-pentadiene at a collision energy of 55 ± 4 kJ mol−1.