DFT/B3LYP study of the substituent effect on the reaction enthalpies of the individual steps of sequential proton loss electron transfer mechanism of phenols antioxidant action: Correlation with phenolic CO bond length

Erik Klein; Vladimír Lukeš

doi:10.1016/j.theochem.2006.11.002

DFT/B3LYP study of the substituent effect on the reaction enthalpies of the individual steps of sequential proton loss electron transfer mechanism of phenols antioxidant action: Correlation with phenolic CO bond length

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.11.002 ◽

2007 ◽

Vol 805 (1-3) ◽

pp. 153-160 ◽

Cited By ~ 27

Author(s):

Erik Klein ◽

Vladimír Lukeš

Keyword(s):

Electron Transfer ◽

Bond Length ◽

Substituent Effect ◽

Transfer Mechanism ◽

Antioxidant Action ◽

Electron Transfer Mechanism ◽

The Individual ◽

Proton Loss

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DFT/B3LYP Study of the Substituent Effect on the Reaction Enthalpies of the Individual Steps of Single Electron Transfer−Proton Transfer and Sequential Proton Loss Electron Transfer Mechanisms of Phenols Antioxidant Action

The Journal of Physical Chemistry A ◽

10.1021/jp063468i ◽

2006 ◽

Vol 110 (44) ◽

pp. 12312-12320 ◽

Cited By ~ 77

Author(s):

Erik Klein ◽

Vladimír Lukeš

Keyword(s):

Electron Transfer ◽

Proton Transfer ◽

Substituent Effect ◽

Single Electron ◽

Single Electron Transfer ◽

Antioxidant Action ◽

The Individual ◽

Transfer Mechanisms ◽

Proton Loss

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DFT/B3LYP study of the substituent effect on the reaction enthalpies of the individual steps of single electron transfer–proton transfer and sequential proton loss electron transfer mechanisms of chroman derivatives antioxidant action

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.05.006 ◽

2011 ◽

Vol 969 (1-3) ◽

pp. 1-12 ◽

Cited By ~ 29

Author(s):

Meysam Najafi ◽

Kaveh Haghighi Mood ◽

Mansour Zahedi ◽

Erik Klein

Keyword(s):

Electron Transfer ◽

Proton Transfer ◽

Substituent Effect ◽

Single Electron ◽

Single Electron Transfer ◽

Antioxidant Action ◽

The Individual ◽

Transfer Mechanisms ◽

Proton Loss

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Insights into the Electron-Transfer Mechanism of Permanganate Activation by Graphite for Enhanced Oxidation of Sulfamethoxazole

Environmental Science & Technology ◽

10.1021/acs.est.1c00020 ◽

2021 ◽

Author(s):

Jiali Peng ◽

Peng Zhou ◽

Hongyu Zhou ◽

Wen Liu ◽

Heng Zhang ◽

...

Keyword(s):

Electron Transfer ◽

Transfer Mechanism ◽

Electron Transfer Mechanism ◽

Enhanced Oxidation

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An electron transfer mechanism for ultrasonic attenuation in metals

Acta Metallurgica ◽

10.1016/0001-6160(55)90070-5 ◽

1955 ◽

Vol 3 (3) ◽

pp. 295-297 ◽

Cited By ~ 42

Author(s):

C. Kittel

Keyword(s):

Electron Transfer ◽

Ultrasonic Attenuation ◽

Transfer Mechanism ◽

Electron Transfer Mechanism

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Electron transfer mechanism in lithium aluminium hydride reduction of organomercuric halides

Tetrahedron Letters ◽

10.1016/s0040-4039(00)81669-x ◽

1983 ◽

Vol 24 (13) ◽

pp. 1411-1414 ◽

Cited By ~ 9

Author(s):

P.R. Singh ◽

R.K. Khanna

Keyword(s):

Electron Transfer ◽

Transfer Mechanism ◽

Lithium Aluminium Hydride ◽

Electron Transfer Mechanism ◽

Hydride Reduction ◽

Lithium Aluminium

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ChemInform Abstract: Photoinduced Coupling Reaction of Benzotriazole with Aromatic Hydrocarbons Sensitized by 9,10-Dicyanoanthracene (DCA) via an Electron-Transfer Mechanism. A Simple Synthesis of 1-Arylbenzotriazole.

ChemInform ◽

10.1002/chin.199149164 ◽

2010 ◽

Vol 22 (49) ◽

pp. no-no

Author(s):

J. XU ◽

J. HE ◽

Y. QIAN

Keyword(s):

Electron Transfer ◽

Aromatic Hydrocarbons ◽

Coupling Reaction ◽

Transfer Mechanism ◽

Simple Synthesis ◽

Electron Transfer Mechanism

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Discussions on Spectral Sensitization in Photographic Process from Viewpoint of Redox Reaction of Excited Dye Molecules (Modified Electron Transfer Mechanism)

The Journal of the Society of Chemical Industry Japan ◽

10.1246/nikkashi1898.72.129 ◽

1969 ◽

Vol 72 (1) ◽

pp. 129-133

Author(s):

Tadaaki TANI ◽

Ken-ichi HONDA ◽

Shin-ichi KIKUCHI

Keyword(s):

Electron Transfer ◽

Redox Reaction ◽

Transfer Mechanism ◽

Dye Molecules ◽

Spectral Sensitization ◽

Electron Transfer Mechanism

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Cyclobutane-bicyclobutane system. Part 13. Bromination of bicyclobutanes: a possible case of an electron-transfer mechanism

Journal of the American Chemical Society ◽

10.1021/ja00251a018 ◽

1987 ◽

Vol 109 (17) ◽

pp. 5149-5156 ◽

Cited By ~ 11

Author(s):

Shmaryahu Hoz ◽

Mordechai Livneh ◽

Drora Cohen

Keyword(s):

Electron Transfer ◽

Transfer Mechanism ◽

Electron Transfer Mechanism ◽

System Part

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Green photocatalytic organic transformations by polyoxometalates vs. mesoporous TiO2 nanoparticles: selective aerobic oxidation of alcohols

Photochemical & Photobiological Sciences ◽

10.1039/c4pp00268g ◽

2015 ◽

Vol 14 (3) ◽

pp. 563-568 ◽

Cited By ~ 14

Author(s):

Theodoros S. Symeonidis ◽

Ioannis Tamiolakis ◽

Gerasimos S. Armatas ◽

Ioannis N. Lykakis

Keyword(s):

Electron Transfer ◽

Tio2 Nanoparticles ◽

Aerobic Oxidation ◽

Mesoporous Tio2 ◽

Transfer Mechanism ◽

Organic Transformations ◽

Electron Transfer Mechanism ◽

Nanoparticle Assemblies ◽

Oxidation Of Alcohols ◽

Aromatic Alcohols

Decatungstate supported on mesoporous TiO2 nanoparticle assemblies catalyze the selective and efficient oxidation of aromatic alcohols under “green” oxidation conditions. An electron transfer mechanism was predominated under UV-vis irradiation.

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Surface photochemistry: Semiconductor mediated reactions of some 1,2-diarylcyclopropanes

Canadian Journal of Chemistry ◽

10.1139/v87-166 ◽

1987 ◽

Vol 65 (5) ◽

pp. 976-979 ◽

Cited By ~ 5

Author(s):

Philip A. Carson ◽

Paul de Mayo

Keyword(s):

Electron Transfer ◽

Radical Cations ◽

Transfer Mechanism ◽

Electron Transfer Mechanism ◽

Trans Isomerization

1,2-Diphenylcyclopropane (1) was found to be oxidized on illuminated ZnO in the presence of air while 1-(p-methoxyphenyl)-2-phenylcyclopropane (2) and 1,2-bis(p-methoxyphenyl)cyclopropane (3) were found to be similarly oxidized on illuminated CdS. Compounds 2 and 3 were found, also, to undergo a rapid photochemical cis-trans isomerization on CdS whereas 1 did not undergo such isomerization. An electron transfer mechanism involving formation of the radical cations of the substrates is proposed.

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