Kathrin Helen Hopmann


Professor, Theoretical and Computational Chemistry

Job description

Professor in Computational Chemistry
Group leader of the CHOCO group (http://site.uit.no/choco)
Project leader of the Innovative Training Network CO2PERATE (www.co2perate.eu)


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.


  • Martin Pettersen, Cuong Dat Do, Sai Manoj N. V. T. Gorantla, Marc Obst, Roman Damm, Anggi Eka Putra et al.:
    Asymmetric Boracarboxylation of Styrenes Using Carbon Dioxide
    Advanced Synthesis and Catalysis 2024 DOI
  • Anders Brakestad, Stig Rune Jensen, Christian Tantardini, Quentin Gregoire Pitteloud, Peter Ariaan Wind, Jānis Užulis et al.:
    Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark
    Journal of Chemical Theory and Computation 2024 ARKIV / DOI
  • Jacob Davies, Julien R. Lyonnet, Bjørn Carvalho, Basudev Sahoo, Craig S. Day, Francisco Juliá-Hernández et al.:
    Kinetically-Controlled Ni-Catalyzed Direct Carboxylation of Unactivated Secondary Alkyl Bromides without Chain Walking
    Journal of the American Chemical Society 2024 DOI
  • Gabriel M. F. Batista, Ruth Ebenbauer, Craig S. Day, Jonas Bergare, Karoline Neumann, Kathrin Helen Hopmann et al.:
    Efficient palladium-catalyzed electrocarboxylation enables late-stage carbon isotope labelling
    Nature Communications 2024 FULLTEKST / ARKIV / DOI
  • Ljiljana Pavlovic, Kathrin Helen Hopmann :
    Understanding the Influence of Lewis Acids on CO2 Hydrogenation: The Critical Effect Is on Formate Rotation
    Organometallics 2023 ARKIV / DOI
  • Jere K. Mannisto, Ljiljana Pavlovic, Johannes Heikkinen, Tony Tiainen, Aleksi Sahari, Norbert Maier et al.:
    N-Heteroaryl Carbamates from Carbon Dioxide via Chemoselective Superbase Catalysis: Substrate Scope and Mechanistic Investigation
    ACS Catalysis 2023 ARKIV / DOI
  • Mateusz Sowinski, Sahil Gahlawat, Bjarte Aarmo Lund, Anna-Luisa Warnke, Kathrin Helen Hopmann, Janet E. Lovett et al.:
    Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times
    Communications chemistry 2023 ARKIV / DOI
  • Anthony P. Deziel, Sahil Gahlawat, Nilay Hazari, Kathrin Helen Hopmann, Brandon Q. Mercado :
    Comparative study of CO2 insertion into pincer supported palladium alkyl and aryl complexes
    Chemical Science 2023 ARKIV / PROSJEKT / FULLTEKST / DOI
  • Simon S. Pedersen, Gabriel M. F. Batista, Martin L. Henriksen, Hans Christian D. Hammershøj, Kathrin Helen Hopmann, Troels Skrydstrup :
    Lignocellulose Conversion via Catalytic Transformations Yields Methoxyterephthalic Acid Directly from Sawdust
    JACS Au 2023 ARKIV / FULLTEKST / PROSJEKT / DOI
  • Craig S. Day, Cuong Dat Do, Carlota Odena, Jordi Benet-Buchholz, Liang Xu, Cina Foroutan-Nejad et al.:
    Room-Temperature-Stable Magnesium Electride via Ni(II) Reduction
    Journal of the American Chemical Society 2022 PROSJEKT / FULLTEKST / ARKIV / DOI
  • Lauren N. Mendelsohn, Ljiljana Pavlovic, Hongyu Zhong, Max R. Friedfeld, Michael Shevlin, Kathrin Helen Hopmann et al.:
    Mechanistic Investigations of the Asymmetric Hydrogenation of Enamides with Neutral Bis(phosphine) Cobalt Precatalysts
    Journal of the American Chemical Society 2022 PROSJEKT / ARKIV / DOI
  • Anthony P. Deziel, Matthew Espinosa, Ljiljana Pavlovic, David J. Charboneau, Nilay Hazari, Kathrin Helen Hopmann et al.:
    Ligand and solvent effects on CO2insertion into group 10 metal alkyl bonds
    Chemical Science 2022 ARKIV / FULLTEKST / PROSJEKT / DOI
  • Aleksi Sahari, Cuong Dat Do, Jere K. Mannisto, Emanuele Antico, Angelo Amaratunga, Kathrin Helen Hopmann et al.:
    Titanium isopropoxide-mediated cis-selective synthesis of 3,4-substituted butyrolactones from CO2
    Chemical Communications 2022 ARKIV / PROSJEKT / FULLTEKST / DOI
  • Ljiljana Pavlovic, Lauren N. Mendelsohn, Hongyu Zhong, Paul J. Chirik, Kathrin Helen Hopmann :
    Cobalt-Catalyzed Asymmetric Hydrogenation of Enamides: Insights into Mechanisms and Solvent Effects
    Organometallics 2022 FULLTEKST / PROSJEKT / ARKIV / DOI
  • Ashot Gevorgyan, Kathrin Helen Hopmann, Annette Bayer :
    Improved Buchwald-Hartwig Amination by the Use of Lipids and Lipid Impurities
    Organometallics 2021 ARKIV / DOI
  • Ashot Gevorgyan, Kathrin Helen Hopmann, Annette Bayer :
    Lipids as Versatile Solvents for Chemical Synthesis
    Green Chemistry 2021 ARKIV / DOI
  • Jere K. Mannisto, Ljiljana Pavlovic, Tony Tiainen, Martin Nieger, Aleksi Sahari, Kathrin Helen Hopmann et al.:
    Mechanistic Insights into Carbamate Formation from CO2 and Amines: The Role of Guanidine–CO2 Adducts,
    Catalysis Science & Technology 2021 ARKIV / DOI
  • Anders Brakestad, Peter Wind, Stig Rune Jensen, Luca Frediani, Kathrin Helen Hopmann :
    Multiwavelets applied to metal–ligand interactions: Energies free from basis set errors
    Journal of Chemical Physics 2021 ARKIV / DOI
  • Ljiljana Pavlovic, Martin Pettersen, Ashot Gevorgyan, Janakiram Vaitla, Annette Bayer, Kathrin Helen Hopmann :
    Computational and experimental insights into asymmetric Rh‐catalyzed hydrocarboxylation with CO2
    European Journal of Organic Chemistry 2020 ARKIV / PROSJEKT / FULLTEKST / DOI
  • Anders Brakestad, Stig Rune Jensen, Peter Wind, Marco D'Alessandro, Luigi Genovese, Kathrin Helen Hopmann et al.:
    Static polarizabilities at the basis set limit: A benchmark of 124 species
    Journal of Chemical Theory and Computation 2020 ARKIV / DOI
  • Rosie J. Somerville, Carlota Odena, Marc Obst, Nilay Hazari, Kathrin Helen Hopmann, Ruben Martin :
    Ni(I)–alkyl complexes bearing phenanthroline ligands: Experimental evidence for CO2 insertion at Ni(I) centers
    Journal of the American Chemical Society 2020 ARKIV / DOI
  • Ashot Gevorgyan, Kathrin Helen Hopmann, Annette Bayer :
    Exploration of New Biomass-Derived Solvents: Application to Carboxylation Reactions
    ChemSusChem 2020 ARKIV / DOI
  • Ashot Gevorgyan, Kathrin Helen Hopmann, Annette Bayer :
    Formal C-H carboxylation of unactivated arenes
    Chemistry - A European Journal 2020 ARKIV / DOI
  • Diego García López, Ljiljana Pavlovic, Kathrin Helen Hopmann :
    To Bind or Not to Bind: Mechanistic Insights into C–CO2 Bond Formation with Late Transition Metals
    Organometallics 2020 FULLTEKST / PROSJEKT / ARKIV / DOI
  • Marc Obst, Ashot Gevorgyan, Annette Bayer, Kathrin Helen Hopmann :
    Mechanistic Insights into Copper-Catalyzed Carboxylations
    Organometallics 2020 ARKIV / DOI
  • Ashot Gevorgyan, Marc Obst, Yngve Guttormsen, Feliu Maseras, Kathrin Helen Hopmann, Annette Bayer :
    Caesium Fluoride-Mediated Hydrocarboxylation of Alkenes and Allenes: Scope and Mechanistic Insights
    Chemical Science 2019 ARKIV / DOI
  • Janakiram Vaitla, Annette Bayer, Kathrin Helen Hopmann :
    Vinyl Sulfoxonium Ylide: A New Vinyl Carbenoid Transfer Reagent for the Synthesis of Heterocycles
    Synlett : Accounts and Rapid Communications in Synthetic Organic Chemistry 2019 ARKIV / PROSJEKT / FULLTEKST / DOI
  • Ljiljana Pavlovic, Bjørn Carvalho, Kathrin Helen Hopmann :
    Asymmetric Ni-catalyzed reductive carbocarboxylation with CO2: The additives affect the mechanism​
    2024
  • Kathrin Helen Hopmann :
    Mechanistic insights into metal-mediated CO2 reduction
    2024
  • Kathrin Helen Hopmann, Ljiljana Pavlovic :
    Cover picture: Juggling Lewis Acid
    2023 DATA
  • Sahil Gahlawat, Anthony P. Deziel, Nilay Hazari, Kathrin Helen Hopmann, Brandon Q. Mercado :
    DFT study of CO2 insertion into PBP-Pd-R complexes
    2023
  • Cuong Dat Do, Craig S. Day, Carlota Odena, Jordi Benet-Buchholz, Liang Xu, Cina Foroutan-Nejad et al.:
    A Room Temperature-Stable Magnesium Electride via Ni(II) Reduction
  • Anna-Luisa Warnke, Mateusz Piotr Sowinski, Sahil Gahlawat, Bjarte Aarmo Lund, Kathrin Helen Hopmann, Janet E. Lovett et al.:
    Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times
    2023
  • Mateusz Piotr Sowinski, Sahil Gahlawat, Bjarte Aarmo Lund, Anna-Luisa Warnke, Kathrin Helen Hopmann, Marius Myreng Haugland et al.:
    Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times
    2023
  • Jennifer V. Obligacion, Kathrin Helen Hopmann :
    Our Cup of Tea: Sustainable Organometallic Chemistry
    Organometallics 2022 ARKIV / DOI
  • Jennifer V. Obligacion, Kathrin Helen Hopmann :
    Cover of Journal: https://pubs.acs.org/toc/orgnd7/41/14
  • Kathrin Helen Hopmann :
    Insights from a successful ITN application
  • Kathrin Helen Hopmann :
    Fraktalgeometri (dikt)
    Utstilling og jubileumsfeiring 2022
  • Sahil Gahlawat, Abril C Castro, Per-Ola Norrby, Kathrin Helen Hopmann :
    CO2 Reduction via an Ir-based Catalyst
    2022
  • Sahil Gahlawat, Abril C Castro, Per-Ola Norrby, Kathrin Helen Hopmann :
    Mechanistic Insights into the Reduction of CO2 using Molecular Catalysis
    2022
  • Cuong Dat Do, Martin Pettersen, Marc Obst, Roman Damm, Anggi Eka Putra, Ashot Gevorgyan et al.:
    Cu-Catalyzed Boracarboxylation Of Substituted Styrenes With CO2
    2022
  • Cuong Dat Do, Craig S. Day, Carlota Odena, Jordi Benet-Buchholz, Liang Xu, Cina Foroutan-Nejad et al.:
    A Room Temperature-Stable Magnesium Electride via Ni(II) Reduction
    2022
  • Kathrin Helen Hopmann :
    CATCH ME IF YOU CAN: Mechanistic insights into homogeneous CO2 fixation
    2021
  • Cuong Dat Do, Aleksi Sahari, Jere K. Mannisto, Emanuele Antico, Angelo Amaratunga, Kathrin Helen Hopmann et al.:
    Ti-mediated cis-selective synthesis of disubstituted lactones using CO2
    2021
  • Kathrin Helen Hopmann :
    Computational Catalysis Applied to Hydrogenation & Carboxylation Reactions
    2020 PROSJEKT
  • Kathrin Helen Hopmann :
    A Polymer Magician: Professor Charlotte K. Williams
    Organometallics 2020 ARKIV / DOI
  • Kathrin Helen Hopmann :
    Handlingsplan for ulikestilling og ekskludering
    Khrono.no 2020 FULLTEKST
  • Nilay Hazari, Nobuharu Iwasawa, Kathrin Helen Hopmann :
    Organometallic Chemistry for Enabling Carbon Dioxide Utilization
    Organometallics 2020 ARKIV / FULLTEKST / PROSJEKT / DOI
  • Kathrin Helen Hopmann :
    Computational & Experimental Insights into the Use of CO2 in Chemical Synthesis
    2019
  • Kathrin Helen Hopmann :
    How To Make Your Computational Paper Interesting and Have It Published
    Organometallics 2019 ARKIV / DOI

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    Research interests

    Application of theoretical methods to analyse the properties and mechanisms of transition metal-catalyzed reactions, in particular stereoselective reactions. Conversion of CO2 to products with higher value.

    FOR POSSIBLE BACHELOR OR MASTER PROJECTS: SEE site.uit.no/choco

    Teaching

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

    See my digitial teaching portfolio for additional information: