Abstract
We report a study on the photoionization of the C6H6 isomer 3,4‐dimethylenecyclobutene, DMCB. The molecule is an intermediate in the formation of benzene from the propargyl radical self‐reaction, a suggested first step in the formation of polycyclic aromatic hydrocarbons and soot. From a threshold photoelectron spectrum we determine an adiabatic ionization energy of 8.75 eV. The geometry change upon ionization is associated with considerable vibrational activity, which is assigned to a symmetric in‐plane bending mode of the =CH2 groups. A breakdown diagram shows that the dissociative photoionization resembles the one observed for benzene. Computations reveal that DMCB cation isomerizes to the benzene cation and dissociates from there.
Published Version
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