Kathrin Helen Hopmann


Job description

Short Biography:
My research activity is focused on elucidating the detailed nature of chemical reactions. During my undergraduate studies (1999-2004, Aarhus University in Denmark and Karolinska Inst. in Sweden), I worked several years in the laboratory, investigating enzymatic reactions. During my Ph.D. studies (2004-08, Royal Institute of Technology, Sweden), I shifted towards computational chemistry, focusing on modelling of enzymatic catalysis. In my post doc studies (2008-11, University of Tromsø, Norway) and my subsequent researcher position, I have increasingly focused on chirality and enantioselective catalysis. Since 2014, I am leading my own research group, which is applying both experimental organic chemistry and theoretical quantum chemistry tools in the investigation and development of organometallic catalysts. Current research projects involve experimental and theoretical studies of transition metal catalyzed processes, including hydrogenation reactions (Ir, Co, Fe) and organometallic conversion of CO2 to higher value products. I lead several externally funded projects, among others the Innovative Training network CO2PERATE (www.co2perate.eu) and a TFS funded recruitment grant (site.uit.no/choco). Since May 2018, I am appointed Associate Professor at UiT The Arctic University of Tromsø and since September 2020, I am Full Professor in Computational Chemistry. For more details on publications and review activity, please see my ORCID profile.


  • Gabriel M. F., Ruth, Craig S., Jonas, Karoline, Kathrin Helen et al.:
    Efficient palladium-catalyzed electrocarboxylation enables late-stage carbon isotope labelling
    Nature Communications 2024 DOI / ARKIV / FULLTEKST
  • Martin, Cuong Dat, Sai Manoj Gorantla, Marc, Roman, Anggi Eka et al.:
    Asymmetric Boracarboxylation of Styrenes Using Carbon Dioxide
    Advanced Synthesis & Catalysis 2024 DOI / ARKIV
  • Sahil, Markus, Abril C, Per-Ola, Kathrin Helen :
    Computational Study of the Ir-Catalyzed Formation of Allyl Carbamates from CO2
    Organometallics 2024 DOI / ARKIV
  • Ljiljana, Bjørn Carvalho de Oliveira, Kathrin Helen :
    Revisiting the Mechanism of Asymmetric Ni-Catalyzed Reductive Carbo-Carboxylation with CO2: The Additives Affect the Product Selectivity
    Chemistry - A European Journal 2024 DOI / ARKIV / FULLTEKST
  • Kim, Vitus, Sahil, Peter, Nikoline, Karoline et al.:
    Nickel Catalyzed Carbonylative Cross Coupling for Direct Access to Isotopically Labeled Alkyl Aryl Ketones
    Angewandte Chemie 2024 DOI / ARKIV
  • Sahil, Kathrin Helen, Abril C :
    Advancing 19F NMR Prediction of Metal-Fluoride Complexes in Solution: Insights from Ab Initio Molecular Dynamics
    Journal of Physical Chemistry A 2024 DOI / ARKIV / FULLTEKST
  • Anthony P., Sahil, Nilay, Kathrin Helen, Brandon Q. :
    Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes
    Chemical Science 2023 DOI / ARKIV / FULLTEKST
  • Jacob, Julien R., Bjørn, Basudev, Craig S., Francisco et al.:
    Kinetically-Controlled Ni-Catalyzed Direct Carboxylation of Unactivated Secondary Alkyl Bromides without Chain Walking
    Journal of the American Chemical Society 2023 DOI / ARKIV / FULLTEKST
  • Ljiljana, Kathrin Helen :
    Understanding the Influence of Lewis Acids on CO2 Hydrogenation: The Critical Effect Is on Formate Rotation
    Organometallics 2023 DOI / ARKIV
  • Anders, Stig Rune, Christian, Quentin Gregoire, Peter, Jānis et al.:
    Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark
    Journal of Chemical Theory and Computation 2023 DOI / ARKIV
  • Jere K., Ljiljana, Johannes, Tony, Aleksi, Norbert et al.:
    N-Heteroaryl Carbamates from Carbon Dioxide via Chemoselective Superbase Catalysis: Substrate Scope and Mechanistic Investigation
    ACS Catalysis 2023 DOI / ARKIV
  • Simon S., Gabriel M. F., Martin L., Hans Christian D., Kathrin Helen, Troels :
    Lignocellulose Conversion via Catalytic Transformations Yields Methoxyterephthalic Acid Directly from Sawdust
    JACS Au 2023 DOI / ARKIV / FULLTEKST
  • Mateusz, Sahil, Bjarte Aarmo, Anna-Luisa, Kathrin Helen, Janet E. et al.:
    Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times
    Communications chemistry 2023 DOI / ARKIV
  • Ljiljana, Lauren N., Hongyu, Paul J., Kathrin Helen :
    Cobalt-Catalyzed Asymmetric Hydrogenation of Enamides: Insights into Mechanisms and Solvent Effects
    Organometallics 2022 DOI / ARKIV / FULLTEKST
  • Lauren N., Ljiljana, Hongyu, Max R., Michael, Kathrin Helen et al.:
    Mechanistic Investigations of the Asymmetric Hydrogenation of Enamides with Neutral Bis(phosphine) Cobalt Precatalysts
    Journal of the American Chemical Society 2022 DOI / ARKIV
  • Craig S., Cuong Dat, Carlota, Jordi, Liang, Cina et al.:
    Room-Temperature-Stable Magnesium Electride via Ni(II) Reduction
    Journal of the American Chemical Society 2022 DOI / ARKIV / FULLTEKST
  • Anthony P., Matthew, Ljiljana, David J., Nilay, Kathrin Helen et al.:
    Ligand and solvent effects on CO2insertion into group 10 metal alkyl bonds
    Chemical Science 2022 DOI / ARKIV
  • Aleksi, Cuong Dat, Jere K., Emanuele, Angelo, Kathrin Helen et al.:
    Titanium isopropoxide-mediated cis-selective synthesis of 3,4-substituted butyrolactones from CO2
    Chemical Communications 2022 DOI / ARKIV / FULLTEKST
  • Jere K., Ljiljana, Tony, Martin, Aleksi, Kathrin Helen et al.:
    Mechanistic Insights into Carbamate Formation from CO2 and Amines: The Role of Guanidine–CO2 Adducts,
    Catalysis Science & Technology 2021 DOI / ARKIV
  • Anders, Peter, Stig Rune, Luca, Kathrin Helen :
    Multiwavelets applied to metal–ligand interactions: Energies free from basis set errors
    Journal of Chemical Physics 2021 DOI / ARKIV
  • Ashot, Kathrin Helen, Annette :
    Lipids as Versatile Solvents for Chemical Synthesis
    Green Chemistry 2021 DOI / ARKIV
  • Ashot, Kathrin Helen, Annette :
    Improved Buchwald-Hartwig Amination by the Use of Lipids and Lipid Impurities
    Organometallics 2021 DOI / ARKIV
  • Marc, Ashot, Annette, Kathrin Helen :
    Mechanistic Insights into Copper-Catalyzed Carboxylations
    Organometallics 2020 DOI / ARKIV
  • Anders, Stig Rune, Peter, Marco, Luigi, Kathrin Helen et al.:
    Static polarizabilities at the basis set limit: A benchmark of 124 species
    Journal of Chemical Theory and Computation 2020 DOI / ARKIV
  • Rosie J., Carlota, Marc, Nilay, Kathrin Helen, Ruben :
    Ni(I)–alkyl complexes bearing phenanthroline ligands: Experimental evidence for CO2 insertion at Ni(I) centers
    Journal of the American Chemical Society 2020 DOI / ARKIV
  • Ashot, Kathrin Helen, Annette :
    Exploration of New Biomass-Derived Solvents: Application to Carboxylation Reactions
    ChemSusChem 2020 DOI / ARKIV
  • Annette, Kathrin Helen, Martin, Ashot, Yngve, Cuong Dat et al.:
    Towards stereoselective CO2 conversion
    2025
  • Annette, Kathrin Helen, Martin, Ashot, Yngve, Cuong Dat et al.:
    Towards stereoselective CO2 conversion. Detours and Success
    2024
  • Annette, Kathrin Helen, Martin, Yngve, Ashot, Sai Manoj et al.:
    Towards stereoselective CO2 conversion
    2024
  • Ljiljana, Bjørn, Kathrin Helen :
    Asymmetric Ni-catalyzed reductive carbocarboxylation with CO2: The additives affect the mechanism​
    2024
  • Sahil, Kathrin Helen :
    Computational Approach to Molecular Reactivity of Transition Metal Complexes
    UiT Norges arktiske universitet 25. octobre 2024
  • Sahil, Markus, Christoph, Kathrin Helen, Charles S., Per-Ola :
    Predictive model for Ir-catalyzed isotope exchange
    2024
  • Sahil, Markus, Abril C., Per-Ola, Kathrin Helen :
    IrIDIUM-catalyzed enantioenriched carbamate formation from CO2: A computational study
    2024
  • Sahil, Markus, Abril C., Per-Ola, Kathrin Helen :
    IrIDIUM-catalyzed enantioenriched allylic carbamate formation from CO2: A computational study
    2024
  • Kathrin Helen :
    Mechanistic insights into metal-mediated CO2 reduction
    2024
  • Quentin Gregoire, Anders, Stig Rune, Christian, Andris, Kathrin Helen et al.:
    Scalar relativistic effects with Multiwavelets: Implementation and benchmark
    2023
  • Mateusz Piotr, Sahil, Bjarte Aarmo, Anna-Luisa, Kathrin Helen, Marius Myreng et al.:
    Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times
    2023
  • Cuong Dat, Craig S., Carlota, Jordi, Liang, Cina et al.:
    A Room Temperature-Stable Magnesium Electride via Ni(II) Reduction
    2023 DOI / ARKIV / FULLTEKST
  • Anna-Luisa, Mateusz Piotr, Sahil, Bjarte Aarmo, Kathrin Helen, Janet E. et al.:
    Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times
    2023
  • Kathrin Helen, Ljiljana :
    Cover picture: Juggling Lewis Acid
    2023
  • Sahil, Anthony P., Nilay, Kathrin Helen, Brandon Q. :
    DFT study of CO2 insertion into PBP-Pd-R complexes
    2023
  • Sahil, Abril C, Per-Ola, Kathrin Helen :
    CO2 Reduction via an Ir-based Catalyst
    2022
  • Cuong Dat, Martin, Marc, Roman, Anggi Eka, Ashot et al.:
    Cu-Catalyzed Boracarboxylation Of Substituted Styrenes With CO2
    2022
  • Cuong Dat, Craig S., Carlota, Jordi, Liang, Cina et al.:
    A Room Temperature-Stable Magnesium Electride via Ni(II) Reduction
    2022
  • Jennifer V., Kathrin Helen :
    Our Cup of Tea: Sustainable Organometallic Chemistry
    Organometallics 2022 DOI / ARKIV
  • Jennifer V., Kathrin Helen :
    Cover of Journal: https://pubs.acs.org/toc/orgnd7/41/14
    2022 FULLTEKST
  • Sahil, Abril C, Per-Ola, Kathrin Helen :
    Mechanistic Insights into the Reduction of CO2 using Molecular Catalysis
    2022
  • Kathrin Helen :
    Insights from a successful ITN application
  • Cuong Dat, Aleksi, Jere K., Emanuele, Angelo, Kathrin Helen et al.:
    Ti-mediated cis-selective synthesis of disubstituted lactones using CO2
    2021
  • Kathrin Helen :
    CATCH ME IF YOU CAN: Mechanistic insights into homogeneous CO2 fixation
    2021

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    Research interests

    Anvendelse av teoretisk kjemi til å undersøke egenskaper og mekanismer av kjemiske reaksjoner, spesielt reaksjoner katalysert av metaller og/eller enantioselektive reaksjoner. Konvertering av CO2 til produkter med høyere verdi.

    FOR MULIGE BACHELOR ELLER MASTER PROSJEKTER: SE site.uit.no/choco

     

    Teaching

    KJE-6004, MNF-6001, KJE-3102, KJE-1001, KJE-3001, KJE-8075

    See min pedagogiske mappe og info om undervisning & veildening her

     





    Realfagbygget C325


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