THE NEW OXIDATION CHEMISTRY OF AMINES
Grant number: FT130101304 | Funding period: 2014 - 2020
Organic compounds containing nitrogen, including amines, are distributed throughout the atmosphere, where they are removed through oxidation reactions. Surprisingly little attention, however, has been directed towards the oxidation chemistry of amines. This problem is of growing importance as the leading technology for carbon capture from power stations involves amine solvents, which would potentially lead to large new sources of amines to the atmosphere. This project will develop the new chemistry required to describe the oxidation of amines in the atmosphere, in order to better predict the impact of these under-studied molecules on air quality.
Related publications (41)
Five vs. six membered-ring PAH products from reaction of o-methylphenyl radical and two C3H4 isomers
Oisin J Shiels, Matthew B Prendergast, John D Savee, David L Osborn, Craig A Taatjes, Stephen J Blanksby, Gabriel da Silva, Adam J Trevitt
Gas-phase reactions of the o-methylphenyl (o-CH3C6H4) radical with the C3H4 isomers allene (H2C[double bond, length as m-dash]C[do..
Photo- and Collision-Induced Isomerization of a Charge-Tagged Norbornadiene-Quadricyclane System
Ugo Jacovella, Eduardo Carrascosa, Jack T Buntine, Nicolai Ree, Kurt Mikkelsen, Martyn Jevric, Kasper Moth-Poulsen, Evan J Bieske
Molecular photoswitches based on the norbornadiene–quadricylane (NBD–QC) couple have been proposed as key elements of molecular so..
Near-infrared reversible photoswitching of an isolated azobenzene-stilbene dye
Eduardo Carrascosa, James N Bull, Jack T Buntine, Gabriel da Silva, Paulo F Santos, Evan J Bieske
Photoswitching of a charged azobenzene-stilbene dye is investigated through laser excitation in a tandem ion mobility mass spectro..
Multiphoton dissociation dynamics of the indenyl radical at 248 nm and 193 nm.
Erin N Sullivan, Bethan Nichols, Stephen von Kugelgen, Gabriel da Silva, Daniel M Neumark
Photofragment translational spectroscopy is used to investigate the unimolecular photodissociation of the indenyl radical (C9H7). ..
Molecular Weight Growth in the Gas-Phase Reactions of Dehydroanilinium Radical Cations with Propene.
Patrick D Kelly, Cameron C Bright, Stephen J Blanksby, Gabriel da Silva, Adam J Trevitt
Protonated aniline-one of the simplest nitrogen-bearing aromatic molecules-is speculated to be present within Titan's atmosphere, ..
Product detection study of the gas-phase oxidation of methylphenyl radicals using synchrotron photoionisation mass spectrometry
Matthew B Prendergast, Benjamin B Kirk, John D Savee, David L Osborn, Craig A Taatjes, Patrick Hemberger, Stephen J Blanksby, Gabriel da Silva, Adam J Trevitt
Product detection studies of the gas-phase oxidation of o-methylphenyl radicals and m-methylphenyl radicals are reported at ambien..
Photoinitiated Intramolecular Proton Transfer in Deprotonated para-Coumaric Acid
James N Bull, Gabriel da Silva, Michael S Scholz, Eduardo Carrascosa, Evan J Bieske
Deprotonated para-coumaric acid is commonly considered as a model for the chromophore in photoactive yellow protein, which undergo..
Mechanistic study of the reaction of CH2F2 with Cl atoms in the absence and presence of CH4 or C2H6: decomposition of CHF2OH and fate of the CHF2O radical.
Freja F Østerstrøm, Christina Andersen, Gabriel da Silva
To assess the atmospheric fate of fluorinated compounds, chamber experiments were performed with Fourier transform infrared spectr..
Photoisomerization of Methyl Vinyl Ketone and Methacrolein in the Troposphere: A Theoretical Investigation of Ground-State Reaction Pathways
Sui So, Uta Wille, Gabriel da Silva
The ground-state rearrangement and decomposition of methyl vinyl ketone (MVK) and methacrolein (MACR) has been investigated using ..
Photoswitching an Isolated Donor-Acceptor Stenhouse Adduct
James N Bull, Eduardo Carrascosa, Neil Mallo, Michael S Scholz, Gabriel da Silva, Jonathon E Beves, Evan J Bieske
Donor-acceptor Stenhouse adducts (DASAs) are a new class of photoswitching molecules with excellent fatigue resistance and synthet..
Highly efficient gas-phase reactivity of protonated pyridine radicals with propene
Cameron C Bright, Matthew B Prendergast, Patrick D Kelly, James P Bezzina, Stephen J Blanksby, Gabriel da Silva, Adam J Trevitt
Small nitrogen containing heteroaromatics are fundamental building blocks for many biological molecules, including the DNA nucleot..
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..
Formation and stability of gas-phase o-benzoquinone from oxidation of ortho-hydroxyphenyl: a combined neutral and distonic radical study
Matthew B Prendergast, Benjamin B Kirk, John D Savee, David L Osborn, Craig A Taatjes, Kye-Simeon Masters, Stephen J Blanksby, Gabriel da Silva, Adam J Trevitt
Gas-phase product detection studies of o-hydroxyphenyl radical and O2 are reported at 373, 500, and 600 K, at 4 Torr (533.3 Pa), u..
Radical Formation in the Gas-Phase Ozonolysis of Deprotonated Cysteine
George N Khairallah, Alan T Maccarone, Huong T Pham, Timothy M Benton, Tony Ly, Gabriel da Silva, Stephen J Blanksby, Richard AJ O'Hair
Although the deleterious effects of ozone on the human respiratory system are well-known, many of the precise chemical mechanisms ..
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..
Molecular Salt Effects in the Gas Phase: Tuning the Kinetic Basicity of [HCCLiCl](-) and [HCCMgCl2](-) by LiCl and MgCl2
George N Khairallah, Gabriel da Silva, Richard AJ O'Hair
A combination of gas-phase ion-molecule reaction experiments and theoretical kinetic modeling is used to examine how a salt can in..
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..