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DFT study on the cycloreversion of thietane radical cations
(American Chemical Society, 2011-06)
The molecular mechanism of the cycloreversion (CR) of thietane radical cations has been analyzed in detail at the UB3LYP/6-31G* level of theory. Results have shown that the process takes place via a stepwise mechanism ...
Arenium cation or radical cation? An insight into the cyclodehydrogenation reaction of 2-substituted binaphthyls mediated by Lewis acids
(Royal Society of Chemistry, 2020-06)
Perylene and its derivatives are some of the most interesting chromophores in the field of molecular design. One of the most employed methodologies for their synthesis is the cyclodehydrogenation of binaphthyls mediated ...
Independent Generation and Reactivity of Thymidine Radical Cations
(American Chemical Society, 2017-10)
Thymidine radical cation (1) is produced by ionizing radiation and has been invoked as an intermediate in electron transfer in DNA. Previous studies on its structure and reactivity have utilized thymidine as a precursor, ...
Scavenging activity of diclofenac. Interaction with abts radical cation and peroxyl radicals
(SOC CHILENA QUIMICA, 2009)
Reactivity of 1,4-dihydropyridines toward alkyl, alkylperoxyl radicals, and abts radical cation
(AMERICAN CHEMICAL SOCIETY, 2003)
SCAVENGING ACTIVITY OF DICLOFENAC: INTERACTION WITH ABTS RADICAL CATION AND PEROXYL RADICALS
(Sociedad Chilena de Química, 2009)
Photoinduced one-electron oxidation of Aromatic Selenides: Effect of the structure on the reversible dimerization reaction
(American Chemical Society, 2018-05)
The photochemical one-electron oxidation of alkyl aryl selenides was studied by means of laser flash photolysis (355 nm). Quenching of the sensitizers in their excited state leads to selenide radical cation in the presence ...
Structural effects on the reactivity 1,4-dihydropyridines with alkylperoxyl radicals and ABTS radical cation
(PERGAMON-ELSEVIER SCIENCE, 2004-05-01)
A series of eight commercial C-4 substituted 1,4-dihydropyridines and other synthesized related compounds were tested for direct potential scavenger effect towards alkylperoxyl radicals and ABTS radical cation in aqueous ...
DFT study on the molecular mechanism of the [4 + 2] cycloaddition between thiobenzophenone and arylalkenes via radical cations
(American Chemical Society, 2009-05)
The mechanistic aspects of the radical cationic version of the [4 + 2] cycloaddition between thiobenzophenone 1 and three aryl-substituted alkenes 2a-c have been studied using DFT methods at the UB3LYP/6-31G level of theory. ...