scholarly journals Gas-phase kinetic and mechanistic investigation of the OH radical and Cl atom oxidation of tetraethoxysilane

RSC Advances ◽  
2016 ◽  
Vol 6 (102) ◽  
pp. 100577-100584
Author(s):  
Ian Barnes ◽  
Peter Wiesen
Keyword(s):  
Gas Phase ◽  
Mechanistic Study ◽  
Oh Radical ◽  
Mechanistic Investigation ◽  
Cl Atom ◽  
Atmospherically Relevant

Kinetic and mechanistic study of the atmospherically relevant reactions of the OH-radical and Cl-atom with tetraethoxysilane.

scholarly journals Kinetics and mechanism of the OH-radical and Cl-atom oxidation of propylene carbonate

RSC Advances ◽  
2016 ◽  
Vol 6 (100) ◽  
pp. 98234-98242 ◽  
Author(s):  
Ian Barnes ◽  
Peter Wiesen ◽  
Michael Gallus
Keyword(s):  
Propylene Carbonate ◽  
Kinetics And Mechanism ◽  
Mechanistic Study ◽  
Oh Radical ◽  
Cl Atom ◽  
Atmospherically Relevant

Kinetic and mechanistic study of the atmospherically relevant reactions of the OH-radical and Cl-atom with propylene carbonate.

Rate Coefficients for the Gas-Phase Reaction of (E)- and (Z)-CF3CF═CFCF3 with the OH Radical and Cl-Atom

2019 ◽  
Vol 123 (24) ◽  
pp. 5051-5060 ◽  
Author(s):  
Munkhbayar Baasandorj ◽  
Vassileios C. Papadimitriou ◽  
James B. Burkholder
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Phase Reaction ◽  
Oh Radical ◽  
Gas Phase Reaction ◽  
Cl Atom

Mechanistic and kinetics study of the gas phase reactions of methyltrifluoroacetate with OH radical and Cl atom

2013 ◽  
Vol 111 (7) ◽  
pp. 860-867 ◽  
Author(s):  
Arup Kumar Chakrabartty ◽  
Bhupesh Kumar Mishra ◽  
Debajyoti Bhattacharjee ◽  
Ramesh Chandra Deka
Keyword(s):  
Gas Phase ◽  
Oh Radical ◽  
Kinetics Study ◽  
Gas Phase Reactions ◽  
Cl Atom

2-Deoxyribose Radicals in the Gas Phase and Aqueous Solution. Transient Intermediates of Hydrogen Atom Abstraction from 2-Deoxyribofuranose

2005 ◽  
Vol 70 (11) ◽  
pp. 1769-1786 ◽  
Author(s):  
Luc A. Vannier ◽  
Chunxiang Yao ◽  
František Tureček
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Atom ◽  
Gas Phase ◽  
Computational Study ◽  
Hydrogen Atom Abstraction ◽  
Oh Radical ◽  
Free Energies ◽  
Intramolecular Hydrogen ◽  
Solvation Free Energies ◽  
Transient Intermediates

A computational study at correlated levels of theory is reported to address the structures and energetics of transient radicals produced by hydrogen atom abstraction from C-1, C-2, C-3, C-4, C-5, O-1, O-3, and O-5 positions in 2-deoxyribofuranose in the gas phase and in aqueous solution. In general, the carbon-centered radicals are found to be thermodynamically and kinetically more stable than the oxygen-centered ones. The most stable gas-phase radical, 2-deoxyribofuranos-5-yl (5), is produced by H-atom abstraction from C-5 and stabilized by an intramolecular hydrogen bond between the O-5 hydroxy group and O-1. The order of radical stabilities is altered in aqueous solution due to different solvation free energies. These prefer conformers that lack intramolecular hydrogen bonds and expose O-H bonds to the solvent. Carbon-centered deoxyribose radicals can undergo competitive dissociations by loss of H atoms, OH radical, or by ring cleavages that all require threshold dissociation or transition state energies >100 kJ mol-1. This points to largely non-specific dissociations of 2-deoxyribose radicals when produced by exothermic hydrogen atom abstraction from the saccharide molecule. Oxygen-centered 2-deoxyribose radicals show only marginal thermodynamic and kinetic stability and are expected to readily fragment upon formation.

scholarly journals Volatility of secondary organic aerosol during OH radical induced ageing

2011 ◽  
Vol 11 (21) ◽  
pp. 11055-11067 ◽  
Author(s):  
K. Salo ◽  
M. Hallquist ◽  
Å. M. Jonsson ◽  
H. Saathoff ◽  
K.-H. Naumann ◽  
...  
Keyword(s):  
Gas Phase ◽  
Organic Aerosol ◽  
Oh Radical ◽  
High Concentration ◽  
Volatile Material ◽  
Phase Oxidation ◽  
Gas Phase Oxidation ◽  
Institute Of Technology ◽  
Set Up ◽  
Pinic Acid

Abstract. The aim of this study was to investigate oxidation of SOA formed from ozonolysis of α-pinene and limonene by hydroxyl radicals. This paper focuses on changes of particle volatility, using a Volatility Tandem DMA (VTDMA) set-up, in order to explain and elucidate the mechanism behind atmospheric ageing of the organic aerosol. The experiments were conducted at the AIDA chamber facility of Karlsruhe Institute of Technology (KIT) in Karlsruhe and at the SAPHIR chamber of Forchungzentrum Jülich (FZJ) in Jülich. A fresh SOA was produced from ozonolysis of α-pinene or limonene and then aged by enhanced OH exposure. As an OH radical source in the AIDA-chamber the ozonolysis of tetramethylethylene (TME) was used while in the SAPHIR-chamber the OH was produced by natural light photochemistry. A general feature is that SOA produced from ozonolysis of α-pinene and limonene initially was rather volatile and becomes less volatile with time in the ozonolysis part of the experiment. Inducing OH chemistry or adding a new portion of precursors made the SOA more volatile due to addition of new semi-volatile material to the aged aerosol. The effect of OH chemistry was less pronounced in high concentration and low temperature experiments when lower relative amounts of semi-volatile material were available in the gas phase. Conclusions drawn from the changes in volatility were confirmed by comparison with the measured and modelled chemical composition of the aerosol phase. Three quantified products from the α-pinene oxidation; pinonic acid, pinic acid and methylbutanetricarboxylic acid (MBTCA) were used to probe the processes influencing aerosol volatility. A major conclusion from the work is that the OH induced ageing can be attributed to gas phase oxidation of products produced in the primary SOA formation process and that there was no indication on significant bulk or surface reactions. The presented results, thus, strongly emphasise the importance of gas phase oxidation of semi- or intermediate-volatile organic compounds (SVOC and IVOC) for atmospheric aerosol ageing.

Theoretical Investigation of the Reactions of CF3CHFOCF3with the OH Radical and Cl Atom

2010 ◽  
Vol 114 (1) ◽  
pp. 417-424 ◽  
Author(s):  
Xiujuan Jia ◽  
Youjun Liu ◽  
Jingyu Sun ◽  
Hao Sun ◽  
Zhongmin Su ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Oh Radical ◽  
Cl Atom

Dimerization of HCN in the gas phase: A theoretical mechanistic study

2012 ◽  
Vol 538 ◽  
pp. 24-28 ◽  
Author(s):  
Min Kyoung Yim ◽  
Joong Chul Choe
Keyword(s):  
Gas Phase ◽  
Mechanistic Study

Mechanism and kinetic study on the gas-phase reactions of OH radical with carbamate insecticide isoprocarb

2012 ◽  
Vol 60 ◽  
pp. 460-466 ◽  
Author(s):  
Chenxi Zhang ◽  
Wenbo Yang ◽  
Jing Bai ◽  
Yuyang Zhao ◽  
Chen Gong ◽  
...  
Keyword(s):  
Kinetic Study ◽  
Gas Phase ◽  
Oh Radical ◽  
Gas Phase Reactions ◽  
Carbamate Insecticide
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