scholarly journals A theoretical and shock tube kinetic study on hydrogen abstraction from phenyl formate

2018 ◽  
Vol 20 (33) ◽  
pp. 21280-21285 ◽  
Author(s):  
Hongbo Ning ◽  
Dapeng Liu ◽  
Junjun Wu ◽  
Liuhao Ma ◽  
Wei Ren ◽  
...  
Keyword(s):  
Shock Tube ◽  
Ab Initio ◽  
Kinetic Study ◽  
Rate Constants ◽  
Hydrogen Abstraction ◽  
Laser Absorption ◽  
Oh Reactions

We performed ab initio calculations of the rate constants for H-abstraction reactions of phenyl formate (PF) by H/O/OH/HO2 radicals and experimentally determined the rate constants for PF + OH reactions using shock tube/laser absorption methods.

Influence of the double bond on the hydrogen abstraction reactions of methyl esters with hydrogen radical: an ab initio and chemical kinetic study

RSC Advances ◽  
2015 ◽  
Vol 5 (84) ◽  
pp. 68314-68325 ◽  
Author(s):  
Quan-De Wang ◽  
Weidong Zhang
Keyword(s):  
Double Bond ◽  
Hydrogen Atom ◽  
Ab Initio ◽  
Kinetic Study ◽  
Rate Constants ◽  
Methyl Esters ◽  
Hydrogen Abstraction ◽  
Chemical Kinetic ◽  
Hydrogen Atom Abstraction ◽  
Hydrogen Radical

This work reports a systematic ab initio and chemical kinetic study of the rate constants for hydrogen atom abstraction reactions by hydrogen radical on the isomers of unsaturated C6 methyl esters.

Energetics and kinetics of various cyano radical hydrogen abstractions

2021 ◽  
Vol 23 (5) ◽  
pp. 3389-3400
Author(s):  
Alexandra D. Burke ◽  
Michael C. Bowman ◽  
Justin M. Turney ◽  
Henry F. Schaefer
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Hydrogen Abstraction ◽  
Cyano Radical ◽  
Kinetics Of

Accurate energetics and rate constants have been obtained for various hydrogen abstraction reactions by the cyano radical using highly accurate ab initio methods.

scholarly journals Ferrous-salt-promoted damage to deoxyribose and benzoate. The increased effectiveness of hydroxyl-radical scavengers in the presence of EDTA

1987 ◽  
Vol 243 (3) ◽  
pp. 709-714 ◽  
Author(s):  
J M C Gutteridge
Keyword(s):  
Rate Constants ◽  
Metal Ion ◽  
Hydrogen Abstraction ◽  
Oh Radicals ◽  
Free Solution ◽  
Abstraction Reaction ◽  
Cheap Method ◽  
Oh Reactions ◽  
A Site ◽  
Deoxyribose Assay

Hydroxyl radicals (OH.) in free solution react with scavengers at rates predictable from their known second-order rate constants. However, when OH. radicals are produced in biological systems by metal-ion-dependent Fenton-type reactions scavengers do not always appear to conform to these established rate constants. The detector molecules deoxyribose and benzoate were used to study damage by OH. involving a hydrogen-abstraction reaction and an aromatic hydroxylation. In the presence of EDTA the rate constant for the reaction of scavengers with OH. was generally higher than in the absence of EDTA. This radiomimetic effect of EDTA can be explained by the removal of iron from the detector molecule, where it brings about a site-specific reaction, by EDTA allowing more OH. radicals to escape into free solution to react with added scavengers. The deoxyribose assay, although chemically complex, in the presence of EDTA appears to give a simple and cheap method of obtaining rate constants for OH. reactions that compare well with those obtained by using pulse radiolysis.

scholarly journals Theoretical and Shock Tube Study of the Rate Constants for Hydrogen Abstraction Reactions of Ethyl Formate

2017 ◽  
Vol 121 (33) ◽  
pp. 6304-6313 ◽  
Author(s):  
Junjun Wu ◽  
Fethi Khaled ◽  
Hongbo Ning ◽  
Liuhao Ma ◽  
Aamir Farooq ◽  
...  
Keyword(s):  
Shock Tube ◽  
Rate Constants ◽  
Hydrogen Abstraction ◽  
Ethyl Formate ◽  
Tube Study
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