Kinetics and Mechanisms of the Hydrogen Abstraction Reactions of CF3CF2CH2CH2F and CF3CH2CH2CF3 with Hydroxyl Radicals: Theoretical Studies

2019 ◽  
Vol 218 ◽  
pp. 116-121
Author(s):  
Ahmad Amiri ◽  
Mohammad Reza Noorbala ◽  
Vahid Saheb
Keyword(s):  
Hydroxyl Radicals ◽  
Hydrogen Abstraction ◽  
Theoretical Studies

Towards high-level theoretical studies of large biodiesel molecules: an ONIOM [QCISD(T)/CBS:DFT] study of hydrogen abstraction reactions of CnH2n+1COOCmH2m+1 + H

2015 ◽  
Vol 17 (1) ◽  
pp. 200-208 ◽  
Author(s):  
Lidong Zhang ◽  
Peng Zhang
Keyword(s):  
Chemical Kinetics ◽  
Hydrogen Abstraction ◽  
Alkyl Ester ◽  
Theoretical Studies ◽  
Recent Interest ◽  
High Level ◽  
Kinetics Of

Recent interest in biodiesel combustion urges the need for the theoretical chemical kinetics of large alkyl ester molecules.

scholarly journals Theoretical studies of a hydrogen abstraction tool for nanotechnology

1991 ◽  
Vol 2 (4) ◽  
pp. 187-195 ◽  
Author(s):  
C B Musgrave ◽  
J K Perry ◽  
R C Merkle ◽  
W A Goddard
Keyword(s):  
Hydrogen Abstraction ◽  
Theoretical Studies

γ-Radiation-induced carboxylation of pyrrolidine

1976 ◽  
Vol 29 (12) ◽  
pp. 2603 ◽  
Author(s):  
A Davison ◽  
NT Barker ◽  
DF Sangster
Keyword(s):  
Aqueous Solution ◽  
Amino Acids ◽  
Carboxylic Acid ◽  
Hydroxyl Radicals ◽  
Hydrogen Abstraction ◽  
Major Product ◽  
Amino Group ◽  
Γ Radiation ◽  
Neutral Aqueous Solution ◽  
Radiation Induced

Amino acids produced in the γ-radiation-induced carboxylation of pyrrolidine and formate in neutral aqueous solution have been studied. Two products only were found in the ratio 1 : 5.5. The minor product, proline, and the major product, pyrrolidine-3-carboxylic acid, have been characterized. Their presence indicates that the predominant site of hydrogen abstraction from pyrrolidine by radiation-generated hydroxyl radicals is β to the amino group.

Theoretical Study of the Kinetics of the Hydrogen Abstraction from Methanol. 3. Reaction of Methanol with Hydrogen Atom, Methyl, and Hydroxyl Radicals

1999 ◽  
Vol 103 (19) ◽  
pp. 3750-3765 ◽  
Author(s):  
Jerzy T. Jodkowski ◽  
Marie-Thérèse Rayez ◽  
Jean-Claude Rayez ◽  
Tibor Bérces ◽  
Sándor Dóbé
Keyword(s):  
Hydrogen Atom ◽  
Hydroxyl Radicals ◽  
Theoretical Study ◽  
Hydrogen Abstraction ◽  
Kinetics Of

scholarly journals An E.S.R study of the oxidation of sodium alkyl sulphates by hydroxyl radicals

1977 ◽  
Vol 30 (3) ◽  
pp. 695 ◽  
Author(s):  
FR Hewgill ◽  
GM Proudfoot
Keyword(s):  
Electron Spin Resonance ◽  
Carboxylic Acids ◽  
Hydroxyl Radicals ◽  
Electron Spin ◽  
Hydrogen Abstraction ◽  
Spin Resonance ◽  
Aliphatic Carboxylic Acids ◽  
H2o2 System

Radicals detected by electron spin resonance show that hydrogen abstraction in the oxidation of alkyl sulphates by the TiCl3/H2O2 system is not selective. In the light of these results and of evidence obtained by reduction of γ-iodocaproic acid, the previous claim1 that hydrogen abstraction from aliphatic carboxylic acids containing 6-8 carbons occurs chiefly at the α and ω-1 position scan no longer be supported.

scholarly journals Reaction of Br3·2- with 2-Deoxy-D-ribose. A Preferred Attack at C-1

1978 ◽  
Vol 33 (6) ◽  
pp. 666-668 ◽  
Author(s):  
Barry J. Parsons ◽  
Dietrich Schulte-Frohlinde ◽  
Clemens von Sonntag
Keyword(s):  
Aqueous Solutions ◽  
Hydroxyl Radicals ◽  
Pulse Radiolysis ◽  
Hydrogen Abstraction ◽  
Major Product ◽  
Alternative Route ◽  
Sugar Moiety ◽  
Bromide Ions

Abstract In the photolysis of 5-bromouracil containing DNA Br atoms are expected inter mediates. In order to evaluate the possible site of attack of the Br atom at the sugar moiety of DNA the reaction of 2-deoxy-D-ribose with the Br atom (complexed with two bromide ions) was investigated. Hydroxyl radicals generated by the radiolysis of N2O saturated aqueous solutions were converted into Br3·2- radicals by 1 M bromide ions. Br3·2- reacts with 2-deoxy-D-ribose (k = 3.7 · 104M-1s-1, pulse radiolysis). The major product is 2-deoxy-D-erythro-pentonic acid (G = 2.4, γ-radiolysis). It is formed by hydrogen abstraction from C-l and oxidation of this radical by other radicals. An alternative route via the radical at C-2 is neglible. It follows that Br3·2- reacts preferentially at C-1 of 2-deoxy-D-ribose

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