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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.
Low Temperature Formation of Nitrogen-substituted Polycyclic Aromatic Hydrocarbons (PANHs)- Barrierless Routes to Dihydro(iso)quinolines
Meteorites contain bio-relevant molecules such as vitamins and nucleobases, which consist of aromatic structures with embedded nitrogen atoms. Questions remain over the chemical mechanisms
Hydrogen abstraction/acetylene addition revealed.
By probing the phenylacetylene intermediate together with naphthalene under combustion-like conditions by photo-ionization mass spectrometry, the very first direct experimental evidence for the validity of the HACA mechanism which so far had only been speculated theoretically is reported.
Competing ultrafast intersystem crossing and internal conversion in the "channel 3" region of benzene.
Time-resolved photoelectron spectroscopy measurements allow us to unravel the evolution of the S(1, T(1) and T(2) components of the excited state population and support the earlier proposal that ultrafast intersystem crossing competes with internal conversion.
Reaction dynamics in astrochemistry: low-temperature pathways to polycyclic aromatic hydrocarbons in the interstellar medium.
Investigations suggest that in the hydrocarbon reactant, the vinyl-type group must be in conjugation with a -C≡CH or -HC=CH2 group to form a resonantly stabilized free radical intermediate, which eventually isomerizes to a cyclic intermediate followed by hydrogen loss and aromatization (PAH formation).
Unexpected chemistry from the reaction of naphthyl and acetylene at combustion-like temperatures.
Experimental evidence indicates that the HACA mechanism does not lead to cyclization of the third aromatic ring as expected but rather undergoes ethynyl substitution reactions instead.
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.
Formation of 6-methyl-1,4-dihydronaphthalene in the reaction of the p-tolyl radical with 1,3-butadiene under single-collision conditions.
The de facto barrierless formation of a methyl-substituted aromatic hydrocarbon by dehydrogenation via a single event represents an important step in the formation of polycyclic aromatic hydrocarbons (PAHs) and their partially hydrogenated analogues in combustion flames and the interstellar medium.
Synthesis of the silaisocyanoacetylene molecule.
The isovalency of the silicon atom was found to bear little resemblance with the carbon atom having a dramatic effect not only on the reactivity, but also on the reaction mechanism, thermochemistry, and chemical bonding of the isoelectronic silaisocyanoacetylene and cyanoacetylene products, effectively reversing the thermodynamical stability of the nitrile vs isonitrile and silanitrile versus isosilanitrile isomer pairs.