THE NEW OXIDATION CHEMISTRY OF AMINES

Grant number: FT130101304 | Funding period: 2014 - 2020

Completed

Abstract

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 (35)

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Thermal Decomposition Kinetics of the Indenyl Radical: A Theoretical Study.

Srivathsan P Sundar, Saddam Al-Hammadi, Zhonghua Ren, Gabriel da Silva

2021-03-30

Quantum chemistry and statistical reaction rate theory calculations have been performed to investigate the products and kinetics o..

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Pyrolysis of Triclosan and Its Chlorinated Derivatives.

Milad Narimani, Gabriel da Silva

2020-10-01

Triclosan (TCS) is a commonly used antimicrobial agent which persists in the environment and may undergo chlorination and/or photo..

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Does 'Dry Hit' vaping of vitamin E acetate contribute to EVALI? Simulating toxic ketene formation during e-cigarette use.

Milad Narimani, Gabriel da Silva

2020-09-03

Vitamin E acetate (VEA) is strongly linked to the outbreak of electronic-cigarette or vaping product use-associated lung injury (E..

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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

2020-02-16

Photoswitching of a charged azobenzene-stilbene dye is investigated through laser excitation in a tandem ion mobility mass spectro..

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Self-catalyzed keto-enol tautomerization of malonic acid

CCR Sutton, CY Lim, G da Silva

2020-01-01

We demonstrate through quantum chemical calculations that the keto-enol tautomerization of malonic acid can be catalyzed by the tw..

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Thermal decomposition kinetics of glyphosate (GP) and its metabolite aminomethylphosphonic acid (AMPA).

Milad Narimani, Gabriel da Silva

2020-01-01

Glyphosate (GP) is a widely used herbicide worldwide, yet accumulation of GP and its main byproduct, aminomethylphosphonic acid (A..

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Atmospheric Oxidation of Piperazine Initiated by OH: A Theoretical Kinetics Investigation

Z Ren, G Da Silva

2019-11-21

Piperazine (Pz) mixed with other amines is a proposed carbon capture solvent, but there is concern about the impact of Pz on air q..

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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

2019-11-07

Photofragment translational spectroscopy is used to investigate the unimolecular photodissociation of the indenyl radical (C9H7). ..

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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

2019-10-17

Protonated aniline-one of the simplest nitrogen-bearing aromatic molecules-is speculated to be present within Titan's atmosphere, ..

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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

2019-08-28

Product detection studies of the gas-phase oxidation of o-methylphenyl radicals and m-methylphenyl radicals are reported at ambien..

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Photoinitiated Intramolecular Proton Transfer in Deprotonated para-Coumaric Acid

James N Bull, Gabriel da Silva, Michael S Scholz, Eduardo Carrascosa, Evan J Bieske

2019-05-23

Deprotonated para-coumaric acid is commonly considered as a model for the chromophore in photoactive yellow protein, which undergo..

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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

2019-05-08

To assess the atmospheric fate of fluorinated compounds, chamber experiments were performed with Fourier transform infrared spectr..

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Insights into the mechanochromism of spiropyran elastomers

Wenlian Qiu, Paul A Gurr, Gabriel da Silva, Greg G Qiao

2019-04-07

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Unveiling New Isomers and Rearrangement Routes on the C7H8 Potential Energy Surface

Ugo Jacovella, Gabriel da Silva, Evan J Bieske

2019-01-31

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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

2018-08-01

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Double Molecular Photoswitch Driven by Light and Collisions

James N Bull, Michael S Scholz, Eduardo Carrascosa, Gabriel da Silva, Evan J Bieske

2018-06-01

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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

2018-02-01

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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

2017-12-14

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The gas phase aldose-ketone isomerization mechanism: Direct interconversion of the model hydroxycarbonyls 2-hydroxypropanal and hydroxyacetone

Jing Sun, Sui So, Gabriel da Silva

2017-10-15

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Mystery of 1-Vinylpropargyl Formation from Acetylene Addition to the Propargyl Radical: An Open-and-Shut Case

Gabriel da Silva

2017-03-16

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Bonding of Aqueous Citrate with Zn2 and ZnO Nanoclusters: A Theoretical Study

Catherine CR Sutton, Gabriel da Silva, George V Franks

2017-02-01

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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

2016-11-01

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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

2016-09-01

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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

2016-02-14

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Decomposition of Pyruvic Acid on the Ground-State Potential Energy Surface

Gabriel da Silva

2016-01-21

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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

2015-10-26

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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

2015-09-24

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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

2015-05-14

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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

2015-04-27

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Modeling the antisymmetric and symmetric stretching vibrational modes of aqueous carboxylate anions

Catherine CR Sutton, George V Franks, Gabriel da Silva

2015-01-05

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Are the three hydroxyphenyl radical isomers created equal? - The role of the phenoxy radical -

P Hemberger, G da Silva, AJ Trevitt, T Gerber, A Bodi

2015-01-01

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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

2014-10-13

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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

2014-10-06

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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

2014-05-22

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Unimolecular reaction chemistry of a charge-tagged beta-hydroxyperoxyl radical

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2014-01-01