DFT Investigation of Hydrogen Atom Abstraction from NHC-Boranes by Methyl, Ethyl and Cyanomethyl Radicals—Composition and Correlation Analysis of Kinetic Barriers [PDF]
Molecules, 2020 Understanding the hydrogen atom abstraction (HAA) reactions of N-heterocyclic carbene (NHC)-boranes is essential for extending the practical applications of boron chemistry.
Hong-jie Qu +4 more
openalex +3 more sources
Hydrogen Atom Abstraction and Reduction Study of 21-Thiaporphyrin and 21,23-Dithiaporphyrin [PDF]
MoleculesThe metal-free porphyrins protonation has gained interest over five decades because its structure modification and hardly monoacid intermediate isolation.
Xiaorui Ren +6 more
openalex +3 more sources
Selective Hydrogen Atom Abstraction by Hydrogen Atoms in Photolysis and Radiolysis of Alkane Mixtures at 77 K [PDF]
Bulletin of the Chemical Society of Japan, 1976 Abstract A selective hydrogen atom abstraction reaction by H atoms, which are produced at 77K by radiolysis of alkane or photolysis of hydrogen halides, has been found in isobutane, 2,2,3,3-tetramethylbutane (TMB), and cyclopropane matrices as well as in the neopentane matrix. The selective hydrogen atom abstraction reaction is caused by
Tetsuo Miyazaki +3 more
openalex +3 more sources
KINETICS OF THE ABSTRACTION OF HYDROGEN ATOMS FROM HYDROGEN SULFIDE BY TRIFLUOROMETHYL RADICALS [PDF]
Canadian Journal of Chemistry, 1966 Trifluoromethyl radicals generated from the photolysis of hexafluoroacetone abstract hydrogen atoms from hydrogen sulphide.[Formula: see text]The rate constant of this reaction measured by comparing the rate with that for the recombination of trifluoromethyl radicals (k = 2.3 × 1013 cc mole−1 s−1) is given by,[Formula: see text]
Neville L. Arthur, T. N. Bell
openalex +3 more sources
Hydrogen atom abstraction by peroxy radicals [PDF]
Canadian Journal of Chemistry, 1967 B. Middleton, K. U. Ingold
openalex +3 more sources
Frontiers in Chemistry, 2022 The photodriven radical-mediated [3 + 2] cyclization reaction was found to yield polymers efficiently without being hindered by degradative chain transfer.
Xiaotian Zhao +7 more
doaj +1 more source
Molbank, 2023 Among the methods used for the synthesis of functionalized heterocyclic compounds, photochemistry has gained immense popularity due to the reactivity of intermediates in photoinduced reactions.
Nejc Petek, Uroš Grošelj
doaj +1 more source
Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
Green Chemistry Letters and Reviews, 2023 Global reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants.
Mohamed A. Abdel-Rahman +3 more
doaj +1 more source
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
openaire +2 more sources
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