Transformation of Organics in the Unpolluted Atmosphere
Grant number: DP110103889 | Funding period: 2011 - 2015
This project will develop the chemistry needed to model the removal of methane and other organic compounds from the unpolluted atmosphere. While the chemistry of urban environments is now understood, there are major shortcomings when describing remote environments, limiting our ability to model the lifetimes of key greenhouse gases and toxins.
Related publications (26)
The gas phase aldose-ketone isomerization mechanism: Direct interconversion of the model hydroxycarbonyls 2-hydroxypropanal and hydroxyacetone
Jing Sun, Sui So, Gabriel da Silva
We report a novel mechanism for the interconversion of 2-hydroxypropanal with its more-stable ketone isomer hydroxyacetone. Reacti..
Gas-Phase Mechanisms of the Reactions of Reduced Organic Nitrogen Compounds with OH Radicals
Nadine Borduas, Jonathan PD Abbatt, Jennifer G Murphy, Sui So, Gabriel da Silva
Research on the fate of reduced organic nitrogen compounds in the atmosphere has gained momentum since the identification of their..
Gas Phase Oxidation of Nicotine by OH Radicals: Kinetics, Mechanisms, and Formation of HNCO
Nadine Borduas, Jennifer G Murphy, Chen Wang, Gabriel da Silva, Jonathan PD Abbatt
Cigarette smoke is recognized as having harmful health effects for the smoker and for people breathing second-hand smoke. In an at..
A Theoretical Study of the Photoisomerization of Glycolaldehyde and Subsequent OH Radical-Initiated Oxidation of 1,2-Ethenediol
Sui So, Uta Wille, Gabriel da Silva
It has recently been discovered that carbonyl compounds can undergo UV-induced isomerization to their enol counterparts under atmo..
Experimental and Theoretical Understanding of the Gas Phase Oxidation of Atmospheric Amides with OH Radicals: Kinetics, Products, and Mechanisms
Nadine Borduas, Gabriel da Silva, Jennifer G Murphy, Jonathan PD Abbatt
Atmospheric amides have primary and secondary sources and are present in ambient air at low pptv levels. To better assess the fate..
Modeling the IR Spectra of Aqueous Metal Carboxylate Complexes: Correlation between Bonding Geometry and Stretching Mode Wavenumber Shifts
Catherine CR Sutton, Gabriel da Silva, George V Franks
A widely used principle is that shifts in the wavenumber of carboxylate stretching modes upon bonding with a metal center can be u..
Direct versus Water-Mediated Protodecarboxylation of Acetic Acid Catalyzed by Group 10 Carboxylates, [(phen)M(O2CCH3)]( )
Matthew Woolley, George N Khairallah, Gabriel da Silva, Paul S Donnelly, Richard AJ O'Hair
The gas-phase protodecarboxylation of acetic acid catalyzed by group 10 metal complexes was examined using a combination of multis..
Reaction of Benzene with Atomic Carbon: Pathways to Fulvenallene and the Fulvenallenyl Radical in Extraterrestrial Atmospheres and the Interstellar Medium
Gabriel da Silva
The reaction of benzene with ground-state atomic carbon, C((3)P), has been investigated using the G3X-K composite quantum chemical..
Isomer-Specific Product Detection of Gas-Phase Xylyl Radical Rearrangement and Decomposition Using VUV Synchrotron Photoionization
Patrick Hemberger, Adam J Trevitt, Thomas Gerber, Edward Ross, Gabriel da Silva
Xylyl radicals are intermediates in combustion processes since their parent molecules, xylenes, are present as fuel additives. In ..
Unimolecular reaction chemistry of a charge-tagged beta-hydroxyperoxyl radical
Sui So, Benjamin B Kirk, Adam J Trevitt, Uta Wille, Stephen J Blanksby, Gabriel da Silva
β-Hydroxyperoxyl radicals are formed during atmospheric oxidation of unsaturated volatile organic compounds such as isoprene. They..
Using Distonic Radical Ions to Probe the Chemistry of Key Combustion Intermediates: The Case of the Benzoxyl Radical Anion
Cong Li, Adrian KY Lam, George N Khairallah, Jonathan M White, Richard AJ O'Hair, Gabriel da Silva
The benzoxyl radical is a key intermediate in the combustion of toluene and other aromatic hydrocarbons, yet relatively little exp..
Hydroxyl radical formation in the gas phase oxidation of distonic 2-methylphenyl radical cations
Matthew B Prendergast, Phillip A Cooper, Benjamin B Kirk, Gabriel da Silva, Stephen J Blanksby, Adam J Trevitt
The reactions of distonic 4-(N,N,N-trimethylammonium)-2-methylphenyl and 5-(N,N,N-trimethylammonium)-2-methylphenyl radical cation..
Concerted HO2 Elimination from alpha-Aminoalkylperoxyl Free Radicals: Experimental and Theoretical Evidence from the Gas-Phase NH2 center dot CHCO2- O-2 Reaction
Gabriel da Silva, Benjamin B Kirk, Celli Lloyd, Adam J Trevitt, Stephen J Blanksby
We have investigated the gas-phase reaction of the α-aminoacetate (glycyl) radical anion (NH2(•)CHCO2(-)) with O2 using ion trap m..
Gas-phase reactions of aryl radicals with 2-butyne: an experimental and theoretical investigation employing the N-methyl-pyridinium-4-yl radical cation
Adrian KY Lam, Cong Li, George Khairallah, Benjamin B Kirk, Stephen J Blanksby, Adam J Trevitt, Uta Wille, Richard AJ O'Hair, Gabriel da Silva
Aromatic radicals form in a variety of reacting gas-phase systems, where their molecular weight growth reactions with unsaturated ..
Reactions of simple and peptidic alpha-carboxylate radical anions with dioxygen in the gas phase
Tony Ly, Benjamin B Kirk, Pramesh I Hettiarachchi, Berwyck LJ Poad, Adam J Trevitt, Gabriel da Silva, Stephen J Blanksby
α-Carboxylate radical anions are potential reactive intermediates in the free radical oxidation of biological molecules (e.g., fat..