Abstraction of atomic hydrogen by atomic deuterium from an amorphous hydrogenated silicon surface [PDF]
The Journal of Chemical Physics, 2002 We have studied the interactions of atomic deuterium with hydrogenated amorphous silicon (a-Si:H) surfaces using surface-sensitive infrared spectroscopy. We deconvoluted the effects of the abstraction reaction from insertion and etching reactions and determined the activation energy barrier for abstraction of H by D from a-Si:H surfaces.
Eray S. Aydil +5 more
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Theoretical study of the addition and hydrogen abstraction reactions of the methyl radical with formaldehyde and hydroxymethylene [PDF]
Journal of the Serbian Chemical Society, 2018 The mechanism, thermochemistry and kinetics of the addition and hydrogen-atom abstraction reactions of the methyl radical with formaldehyde and hydroxymethylene were investigated by ab initio calculations.
Nguyen Huu Tho, Nguyen Xuan Sang
doaj +1 more source
Nature Communications, 2021 Hydrogen atom abstraction from C(sp 3)–H bonds of naturally abundant alkanes for alkyl radical generation represents a promising yet underexplored strategy in the alkylation reaction designs.
Chia-Yu Huang, Jianbin Li, Chao-Jun Li
doaj +1 more source
Flavones’ and Flavonols’ Antiradical Structure–Activity Relationship—A Quantum Chemical Study
Antioxidants, 2020 Flavonoids are known for their antiradical capacity, and this ability is strongly structure-dependent. In this research, the activity of flavones and flavonols in a water solvent was studied with the density functional theory methods.
Maciej Spiegel +2 more
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Mechanism of Benzene Hydroxylation on Tri-Iron Oxo-Centered Cluster-Based Metal–Organic Frameworks [PDF]
, 2023 High-valent Fe(IV)-oxo species derived upon reactions of N2O with Fe(II) centers─embedded in the framework of tri-iron oxo-centered-based metal–organic frameworks (MOFs)─ selectively affect the conversion of benzene-to-phenol via electrophilic addition ...
Bhan, Aditya +4 more
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BMC Chemistry, 2023 Inert allyl-type monomers have been widely documented due to reduce degradation chain transfer. Recently, we and others discovered that the [3 + 2] cyclization reaction process by a photo-driven radical reaction, which can accelerate the polymerization ...
Xiaotian Zhao +8 more
doaj +1 more source
Conformational effects on the pro-S hydrogen abstraction reaction in cyclooxygenase-1: an integrated QM/MM and MD study [PDF]
, 2013 A key step in the cyclooxygenase reaction cycle of cyclooxygenase 1 (COX-1) is abstraction of the pro-S hydrogen atom of the arachidonic acid by a radical that is formed at the protein residue Tyr-385.
Adrian J. Mulholland +20 more
core +1 more source
Frontiers in Chemistry, 2023 HCl-assisted propane dehydrogenation (PDH) is an attractive route for propene production with good selectivity. In this study, the doping of CeO2 with different transition metals, including V, Mn, Fe, Co, Ni, Pd, Pt, and Cu, in the presence of HCl was ...
Faheem Jan +7 more
doaj +1 more source
Establishing Thermodynamic Graphs of Nitrogenous Radical Cations Abstracting Hydrogen Atoms and Their Applications in Photoredox Reactions. [PDF]
MoleculesNitrogenous compounds have been extensively utilized as hydrogen atom transfer (HAT) catalysts in photoredox reactions, with nitrogenous radical cations being the actual hydrogen atom abstractors. Building upon our previous work, 120 thermodynamic graphs
Zhao X +6 more
europepmc +2 more sources
Hydrogen abstraction reactions in formic and thioformic acid isomers by hydrogen and deuterium atoms. Insights on isomerism and deuteration [PDF]
A&A 663, A41 (2022), 2022 The isomerism of molecules in the interstellar medium and the mechanisms behind it are essential questions in the chemistry of organic molecules in space. In particular, for the simple formic and thioformic acids, the low temperatures found in molecular clouds indicate that cis-trans isomerization in the gas-phase must be impeded.
arxiv +1 more source