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Low temperature formation of naphthalene and its role in the synthesis of PAHs (Polycyclic Aromatic Hydrocarbons) in the interstellar medium
It is shown that naphthalene can be formed in the gas phase via a barrierless and exoergic reaction between the phenyl radical (C6H5) and vinylacetylene (CH2 = CH-C ≡ CH) involving a van-der-Waals complex and submerged barrier in the entrance channel.
Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames.
The article addresses the formation mechanisms of naphthalene and indene, which represent prototype polycyclic aromatic hydrocarbons (PAH) carrying two six-membered and one five- plus a six- Membered ring, and new theoretical results for rate constants and product branching ratios for the reaction of phenyl radical with vinylacetylene are illustrated.
Mechanisms of formation of nitrogen-containing polycyclic aromatic compounds in low-temperature environments of planetary atmospheres: a theoretical study.
Ab initio quantum chemical calculations of potential energy surfaces for various reaction mechanisms of incorporation of nitrogen atoms into aromatic rings of polycyclic aromatic compounds, which may lead to the formation of N-PACs under the low-temperature and low-pressure conditions of Titan's atmosphere are carried out.
Cosmic-ray-mediated Formation of Benzene on the Surface of Saturn's Moon Titan
The aromatic benzene molecule (C_6H_6)—a central building block of polycyclic aromatic hydrocarbon molecules—is of crucial importance for the understanding of the organic chemistry of Saturn's
PAH formation under single collision conditions: reaction of phenyl radical and 1,3-butadiene to form 1,4-dihydronaphthalene.
The defacto barrierless formation of the 1,4-dihydronaphthalene molecule involving a single collision between a phenyl radical and 1,3-butadiene represents an important step in the formation of polycyclic aromatic hydrocarbons (PAHs) and their partially hydrogenated counterparts in combustion and interstellar chemistry.