scholarly journals Key Role of Some Specific Occupied Molecular Orbitals of Short Chain n-Alkanes in Their Surface Tension and Reaction Rate Constants with Hydroxyl Radicals: DFT Study

2021 ◽  
Vol 11 (01) ◽  
pp. 1-13
Author(s):  
Mikhail Yu Gorbachev ◽  
Natalia N. Gorinchoy ◽  
Ion Arsene
Keyword(s):  
Surface Tension ◽  
Hydroxyl Radicals ◽  
Rate Constants ◽  
Reaction Rate ◽  
Molecular Orbitals ◽  
Short Chain ◽  
Dft Study ◽  
Reaction Rate Constants

scholarly journals Iron(III) hydroxocomplex - methyl viologen dication system as a prospective tool for determination of hydroxyl radical reaction rate constants with environmental pollutants

2021 ◽  
Author(s):  
Yuliya Tyutereva ◽  
Vyacheslav P. Grivin ◽  
Jing Xu ◽  
Feng Wu ◽  
Victor Plyusnin ◽  
...  
Keyword(s):  
Hydroxyl Radical ◽  
Hydroxyl Radicals ◽  
Rate Constants ◽  
Reaction Rate ◽  
Methyl Viologen ◽  
Flash Photolysis ◽  
Laser Flash Photolysis ◽  
Radical Reaction ◽  
Reaction Rate Constants ◽  
Wide Range

Abstract Reactivity of oxidative species with target pollutants is one of the crucial parameters for application of any system based on advanced oxidation processes (AOPs). This work presents new useful approach how to determine the hydroxyl radical reaction rate constants (kOH) using UVA laser flash photolysis technique. Fe(III) hydroxocomplex at pH 3 was applied as a standard source of hydroxyl radicals and methyl viologen dication (MV2+) was used as selective probe for •OH radical. Application of MV2+ allows to determine kOH values even for compounds which do not generate themselves optically detectable transient species in reaction with hydroxyl radicals. Validity of this approach was tested on a wide range of different persistent pesticides and its main advantages and drawbacks in comparison with existing steady-state and time-resolved techniques were discussed.

Reactivity of Peroxyl Radicals towards Hydrogen Donors: A Kinetic ESR Investigation

2009 ◽  
Vol 12 (2) ◽  
Author(s):  
A. Criqui ◽  
J. Lalevée ◽  
X. Allonas ◽  
J. P. Fouassier
Keyword(s):  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Rate Constants ◽  
Reaction Rate ◽  
Peroxyl Radicals ◽  
Efficient Technique ◽  
Reaction Rate Constants ◽  
Hydrogen Donors

AbstractPeroxyl radicals are usually assumed as key intermediates in oxidation or autoxidation processes rendering important a better understanding of their associated reactivity. Kinetic ESR is proposed here as an efficient technique for the determination of their reaction rate constants. The interactions between peroxyl radicals and a large variety of hydrogen donors Y-H are reported. The role of the Y-H bond dissociation energy is outlined.

Development of a QSAR model for predicting aqueous reaction rate constants of organic chemicals with hydroxyl radicals

2017 ◽  
Vol 19 (3) ◽  
pp. 350-356 ◽  
Author(s):  
Xiang Luo ◽  
Xianhai Yang ◽  
Xianliang Qiao ◽  
Ya Wang ◽  
Jingwen Chen ◽  
...  
Keyword(s):  
Hydroxyl Radicals ◽  
Rate Constants ◽  
Reaction Rate ◽  
Qsar Model ◽  
Organic Chemicals ◽  
Reaction Rate Constants

This study provides a QSAR model for predicting the aqueous reaction rate constants of organic chemicals with hydroxyl radicals.

Measurement of the OH Reaction Rate Constants for CF3CH2OH, CF3CF2CH2OH, and CF3CH(OH)CF3

1999 ◽  
Vol 103 (15) ◽  
pp. 2664-2672 ◽  
Author(s):  
Kazuaki Tokuhashi ◽  
Hidekazu Nagai ◽  
Akifumi Takahashi ◽  
Masahiro Kaise ◽  
Shigeo Kondo ◽  
...  
Keyword(s):  
Rate Constants ◽  
Reaction Rate ◽  
Reaction Rate Constants

scholarly journals PREDICTION OF REACTION RATE CONSTANTS OF HYDROXYL RADICAL WITH ORGANIC COMPOUNDS

2014 ◽  
Vol 59 (1) ◽  
pp. 2252-2259 ◽  
Author(s):  
ZHEN CHEN ◽  
XINLIANG YU ◽  
XIANWEI HUANG ◽  
SHIHUA ZHANG
Keyword(s):  
Hydroxyl Radical ◽  
Organic Compounds ◽  
Rate Constants ◽  
Reaction Rate ◽  
Reaction Rate Constants
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