Portraits of soot molecules reveal pathways to large aromatics, five-/seven-membered rings, and inception through π-radical localization

LA Lieske, M Commodo, JW Martin, K Kaiser… - ACS …, 2023 - ACS Publications
Incipient soot early in the flame was studied by high-resolution atomic force microscopy and
scanning tunneling microscopy to resolve the atomic structure and orbital densities of single …

Radical–radical reactions in molecular weight growth: The phenyl+ propargyl reaction

TM Selby, F Goulay, S Soorkia, A Ray… - The Journal of …, 2023 - ACS Publications
The mechanism for hydrocarbon ring growth in sooting environments is still the subject of
considerable debate. The reaction of phenyl radical (C6H5) with propargyl radical …

On the mechanism of soot nucleation. IV. Molecular growth of the flattened E-bridge

M Frenklach, AM Mebel - The Journal of Physical Chemistry A, 2022 - ACS Publications
Rotationally excited dimerization of aromatic moieties, a mechanism proposed recently to
explain the initial steps of soot particle inception in combustion and pyrolysis of …

Catalytic and non-catalytic chemical kinetics of hydrocarbons cracking for hydrogen and carbon materials production

C Giudici, F Serse, A Nobili, M Bracconi… - Advances in Chemical …, 2023 - Elsevier
In the perspective of decarbonizing the chemical and energy industries, the production of
hydrogen from the thermal and thermo-catalytic pyrolysis of hydrocarbons has been …

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

M Frenklach, AW Jasper, AM Mebel - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
The energetics and kinetics of phenalene and phenalenyl growth reactions were studied
theoretically. Rate constants of phenalene and phenalenyl H-abstraction and C2H2 addition …

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

YA Dyakov, SO Adamson, NI Butkovskaya… - Russian Journal of …, 2024 - Springer
Pentalene and its chemically active isomers benzocyclobutadiene and phenylacetylene play
an important role in processes of creation and destruction of polyaromatic hydrocarbons …

On the Mechanism of Soot Nucleation. IV. Molecular Growth of the Flattened E‑Bridge

M Frenklach, AM Mebel - The Journal of Physical Chemistry A, 2022 - escholarship.org
Rotationally excited dimerization of aromatic moieties, a mechanism proposed recently to
explain the initial steps of soot particle inception in combustion and pyrolysis of …

[引用][C] Gas-phase synthesis of graphene in a microwave plasma reactor

P Fortugno - Dissertation, Duisburg, Essen …