posted on 2021-12-30, 15:38authored byRalf I. Kaiser, Long Zhao, Wenchao Lu, Musahid Ahmed, Marsel V. Zagidullin, Valeriy N. Azyazov, Alexander M. Mebel
Resonantly
stabilized free radicals (RSFRs) have been contemplated
as fundamental molecular building blocks and reactive intermediates
in molecular mass growth processes leading to polycyclic aromatic
hydrocarbons (PAHs) and carbonaceous nanoparticles on Earth and in
deep space. By combining molecular beams and computational fluid dynamics
simulations, we provide compelling evidence on the formation of benzene
via the cyclopentadienyl-methyl reaction and of naphthalene through
the cyclopentadienyl self-reaction, respectively. These systems offer
benchmarks for the conversion of a five-membered ring to the 6π-aromatic
(benzene) and the generation of the simplest 10π-PAH (naphthalene)
at elevated temperatures. These results uncover molecular mass growth
processes from the “bottom up” via RSFRs in high temperature
circumstellar environments and combustion systems expanding our fundamental
knowledge of the organic, hydrocarbon chemistry in our universe.