Phenalenyl growth reactions and implications for prenucleation chemistry of aromatics in flames

Frenklach, Michael; Jasper, Ahren W.; Mebel, Alexander M.

doi:10.1039/d4cp00096j

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d4cp00096j

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Phenalenyl growth reactions and implications for prenucleation chemistry of aromatics in flames

Michael Frenklach,

Ahren W. Jasper,

Alexander M. Mebel

Abstract: The energetics and kinetics of phenalene and phenalenyl growth reactions were studied theoretically. Rate constants of phenalene and phenalenyl H abstraction and C2H2 addition to the formed radicals were evaluated...

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Cited by 2 publications

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Detection of interstellar 1-cyanopyrene: A four-ring polycyclic aromatic hydrocarbon

Wenzel,

Cooke,

Changala

et al. 2024

Science

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Polycyclic aromatic hydrocarbons (PAHs) are organic molecules containing adjacent aromatic rings. Infrared emission bands show that PAHs are abundant in space, but only a few specific PAHs have been detected in the interstellar medium. We detect 1-cyanopyrene, a cyano-substituted derivative of the related four-ring PAH pyrene, in radio observations of the dense cloud TMC-1 using the Green Bank Telescope. The measured column density of 1-cyanopyrene is ∼ 1 .52×10 12 cm − 2 , from which we estimate that pyrene contains up to 0.1% of the carbon in TMC-1. This abundance indicates that interstellar PAH chemistry favors the production of pyrene. We suggest that some of the carbon supplied to young planetary systems is carried by PAHs that originate in cold molecular clouds.

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Detection of interstellar 1-cyanopyrene: A four-ring polycyclic aromatic hydrocarbon

Wenzel,

Cooke,

Changala

et al. 2024

Science

View full text Add to dashboard Cite

show abstract

Change in Electronic and Chemical Properties of Pentalene and its Derivatives under the Single and Double Ionization: Ab Initio and RRKM Study

Dyakov,

Adamson,

Butkovskaya

et al. 2024

Russ. J. Phys. Chem. B

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Phenalenyl growth reactions and implications for prenucleation chemistry of aromatics in flames

Abstract: The energetics and kinetics of phenalene and phenalenyl growth reactions were studied theoretically. Rate constants of phenalene and phenalenyl H abstraction and C2H2 addition to the formed radicals were evaluated...

Cited by 2 publications

References 94 publications

Detection of interstellar 1-cyanopyrene: A four-ring polycyclic aromatic hydrocarbon

Detection of interstellar 1-cyanopyrene: A four-ring polycyclic aromatic hydrocarbon

Change in Electronic and Chemical Properties of Pentalene and its Derivatives under the Single and Double Ionization: Ab Initio and RRKM Study

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