Academic Interests
- Mass spectrometry
- Physical organic chemistry (mechanisms, energetics, kinetics and dynamics of elementary organic reactions)
- Physical and chemical properties of transition metal clusters
- Physical and chemical properties of water clusters
- Theory of unimolecular and bimolecular reactions
- Computational quantum chemistry
- Teaching and popularization of chemistry and science
- Scientific instrumentation
Tags:
Chemistry,
Physical chemistry
Publications
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Roberts, Aubrey Jane; Görbitz, Carl Henrik; Mossige, Joachim; Samset, Bjørn Hallvard & Uggerud, Einar
(2023).
Abels Tårn.
[Radio].
NRK P3 EKKO.
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Løyland, Sverre & Uggerud, Einar
(2023).
Mechanistic insight into the industrial production of H₂O₂ using mass spectrometry.
Show summary
The anthraquinone process is an industrial, catalytic process for the production of hydrogen peroxide, H₂O₂, from hydrogen and oxygen gas. First, an anthraquinone, 1, is catalytically hydrogenated with palladium and hydrogen gas to form an anthrahydroquinone, 2. The reduced molecule 2 is subsequently oxidized back to 1 by spontaneous reaction with oxygen gas, and in the process forming H₂O₂. Although more than 4 million tons of H₂O₂ are produced yearly, the reaction mechanism for the formation of H₂O₂ from 2 is not understood in detail, and the mechanisms presented in most textbooks are probably wrong as they are spin-forbidden.
We have performed reactions between a cationic derivative of 2 and O2 gas in the collision cell of a mass spectrometer in conjunction with quantum chemical computations to elucidate the mechanism.
As the samples of 2 react with atmospheric oxygen in seconds, the experiments also present some challenging practical aspects of mass spectrometric analyses of reactive molecules.
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Norby, Truls; Ma, Quanbao; Qureishy, Thomas & Uggerud, Einar
(2022).
Plasma-enhanced ammonia synthesis over nanoscopic Ru/CeO2.
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Tysse, Morten; Jensen, Vidar Remi; Børve, Knut J.; Eliasson, Sondre Hilmar Hopen & Uggerud, Einar
(2021).
Electrocatalytic Reduction of CO2 to CO by Iron and Zinc Porphyrin and Bacteriochlorin - A DFT study.
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Jestilä, Joakim Samuel & Uggerud, Einar
(2021).
An investigation of reductive CO2 activation using tandem mass spectrometric techniques.
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Jestilä, Joakim Samuel; Uggerud, Einar & Helgaker, Trygve
(2021).
Reductive gas-phase ion chemistry of simple oxocarbons in the presence of alkali and alkaline earth metals.
Universitetet i Oslo, Det matematisk-naturvitenskapelige fakultet.
ISSN 1501-7710.
2021(2430).
Show summary
In a circular carbon economy, carbon dioxide (CO2) is recycled and used as a molecular building block to make fuels, chemicals and materials, driven by renewable energy sources. Hence, the molecule represents a potential replacement for oil, natural gas and coal as one of the primary sources of carbon.
A major bottleneck stems from the fact that CO2 requires activation before it can be converted. This work explores the activation and reduction of CO2 by the alkali metal and alkaline earth metal chloride anions on a fundamental level. It sheds light on relevant factors in the conversion of CO2 to valuable products such as oxalate (C2O42−) and carbon monoxide (CO), as well as further conversion of the latter. The aforementioned processes proceed via metal-CO2 intermediates—chemical species formed during conversion of reactants to products—and this thesis links their properties to the extent of CO2 activation. Specifically, more complete electron transfer from the metal to CO2 and larger structural changes in the intermediates are associated with lower energetic demands for further reaction and conversion. These results could prove useful for the development of efficient CO2-recycling processes.
View all works in Cristin
Published
Nov. 11, 2010 9:00 AM
- Last modified
Mar. 1, 2024 7:53 PM