Publications from the CHOCO group


  • Simon S. Pedersen, Gabriel M. F. Batista, Martin L. Henriksen, Hans Christian D. Hammershøj, Kathrin H. Hopmann, and Troels Skrydstrup. Lignocellulose Conversion via Catalytic Transformations Yields Methoxyterephthalic Acid Directly from Sawdust. JACS Au 2023. DOI: 10.1021/jacsau.3c00092
    Figure 1


  • Lauren N. Mendelsohn, Ljiljana Pavlovic, Hongyu Zhong, Max R. Friedfeld, Michael Shevlin, Kathrin H. Hopmann, and Paul J. Chirik. Mechanistic Investigations of the Asymmetric Hydrogenation of Enamides with Neutral Bis(phosphine) Cobalt Precatalysts. J. Am. Chem. Soc. 2022, 144, 34, 15764–15778. DOI: 10.1021/jacs.2c06454
    Figure 1
  • Jennifer V. Obligacion and Kathrin H. Hopmann. Our Cup of Tea: Sustainable Organometallic Chemistry. Organometallics 2022, 41, 14, 1739–1742. DOI: 10.1021/acs.organomet.2c00294
    Sustainable organometallic chemistry involves different flavors of innovation: the design of solvents, ligands, metal catalysts, substrates, and energy sources that are renewable.
  • Ljiljana Pavlovic, Lauren N. Mendelsohn, Hongyu Zhong, Paul J. Chirik, Kathrin H. Hopmann. Cobalt-Catalyzed Asymmetric Hydrogenation of Enamides: Insights into Mechanisms and Solvent Effects. Organometallics 2022, 41, 14, 1872–1882. DOI: 10.1021/acs.organomet.2c00180
  • Craig S. Day, Cuong Dat Do, Carlota Odena, Jordi Benet-Buchholz, Liang Xu, Cina Foroutan-Nejad, Kathrin H. Hopmann, Ruben Martin. Room-Temperature-Stable Magnesium Electride via Ni(II) Reduction. JACS 2022. ISSN 0002-7863.s doi: 10.1021/jacs.2c01807.
  • Aleksi Sahari,  Cuong Dat Do,  Jere K. Mannisto,  Emanuele Antico, Angelo Amaratunga,  Kathrin H. Hopmann , Timo Repo.  Titanium isopropoxide-mediated cis-selective synthesis of 3,4-substituted butyrolactones from CO2Chem. Commun., 2022, Advance Article.
    Graphical abstract: Titanium isopropoxide-mediated cis-selective synthesis of 3,4-substituted butyrolactones from CO2
  • Anthony P. Deziel, Matthew R. Espinosa, Ljiljana Pavlovic, David J. Charboneau, Nilay Hazari, Kathrin H. Hopmann , Brandon Q. Mercado. Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds. Chem. Sci., 2022, Advance Article.
    Graphical abstract: Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds


  • Jere K. Mannisto, Ljiljana L. P. Pavlovic, Tony Tiainen, Martin Nieger, Aleksi A. S. Sahari, Kathrin H. Hopmann, Timo Repo. Mechanistic Insights into Carbamate Formation from CO2 and Amines: The Role of Guanidine–CO2 Adducts, Catal. Sci. Technol., 2021.
  • Ashot Gevorgyan, Kathrin Helen Hopmann, Annette Bayer. Lipids as versatile solvents for chemical synthesis, Green Chem., 2021, Accepted Manuscript,
  • Anders Brakestad, Peter Wind, Stig Rune Jensen, Luca Frediani, Kathrin Helen Hopmann. Multiwavelets Applied to Metal-Ligand Interactions: Energies Free from Basis Set Errors, J. Chem. Phys. 2021, 1st version found on: ChemRxiv. Preprint.
  • Ljiljana Pavlovic, Martin Pettersen, Ashot Gevorgyan, Janakiram Vaitla, Annette Bayer, Kathrin Helen Hopmann. Computational and experimental insights into asymmetric Rh‐catalyzed hydrocarboxylation with CO2, Eur. J. Org, Chem. 2021, (online in 2020).


  • Aya Ismael, Ashot Gevorgyan, Troels Skrydstrup, Annette Bayer. Renewable Solvents for Palladium-Catalyzed Carbonylation Reactions. Org. Process Res. Dev. 2020. doi:10.1021/acs.oprd.0c00325
  • Marc Obst. Homogeneous Metal-Mediated Carboxylation with Carbon Dioxide. Doctoral thesis 2020. (Main supervisor K. H. Hopmann)
  • Ljiljana Pavlovic. Towards Enantioselective Carboxylation and Hydrogenation Reactions (Quantum Chemical Modelling of Homogeneous Reactions). Doctoral thesis 2020. (Main supervisor K. H. Hopmann)
  • Anders Brakestad, Stig R. Jensen, Peter Wind, Marco D’Alessandro, Luigi Genovese, Kathrin H. Hopmann, and Luca Frediani. Static polarizabilities at the basis set limit: A benchmark of 124 species. J. Chem. Theory Comput. 2020. doi: 10.1021/acs.jctc.0c00128.
    • Rosie J. Somerville, Carlota Odena, Marc Ferry Obst, Nilay Hazari, Kathrin H.  Hopmann, Ruben Martin. Ni(I)–Alkyl Complexes Bearing Phenanthroline Ligands: Experimental Evidence for CO2 Insertion at Ni(I) Centers. J. Am. Chem. Soc. 2020. doi: 10.1021/jacs.0c04695.
    • Diego Garcia-Lopez, Ljiljana Pavlovic, Kathrin H. Hopmann, To Bind or Not to Bind: Mechanistic Insights into C–CO2 Bond Formation with Late Transition Metals. Organometallics 2020. doi: 10.1021/acs.organomet.0c00090

    • Aya Ismael, Troels Skrystrup, Annette Bayer. Carbonylative Suzuki-Miyaura couplings of sterically hindered aryl halides: Synthesis of 2-aroylbenzoate derivatives. Org. Bioorg. Chem. 2020. doi: 10.1039/D0OB00044B.

    • Marc Ferry Obst, Ashot Gevorgyan, Annette Bayer, Kathrin H. Hopmann. Mechanistic insights into copper-catalyzed carboxylations, Organometallics 2020, doi: 10.1021/acs.organomet.9b00710.
    • Nilay Hazari, Nobuharu Iwasawa, Kathrin H. Hopmann, Organometallic chemistry for enabling CO2 utilization, Organometallics 2020, 39, 1457, doi: 10.1021/acs.organomet.0c00229
    • Ashot Gevorgyan, Kathrin Helen Hopmann, Annette Bayer. Exploration of New Biomass‐Derived Solvents: Application to Carboxylation Reactions. ChemSusChem 2020. doi:10.1002/cssc.201903224
    • Ashot Gevorgyan, Kathrin Helen Hopmann, Annette Bayer. Formal C-H Carboxylation of Unactivated Arenes. Chem Eur J  2020. doi:10.1002/chem.202000515


    • Ashot Gevorgyan, Marc Ferry 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, 10072. doi: 10.1039/C9SC02467K

    • Janakiram Vaitla, Annette Bayer, Kathrin H. Hopmann. Vinyl Sulfoxonium Ylide: A New Vinyl Carbenoid Transfer Reagent for the Synthesis of Heterocycles. Synlett 2019 doi: 10.1055/s-0037-1611771

    • Kathrin H. Hopman. How To Make Your Computational Paper Interesting and Have It Published, Organometallics 2019, 38, 603-605. doi: 10.1021/acs.organomet.8b00942


    • Janakiram Vaitla, Annette Bayer, Kathrin Helen Hopmann. Iron‐Catalyzed Carbenoid Transfer Reactions of Vinyl Sulfoxonium Ylides: An Experimental and Computational Study. Angewandte Chemie IE 2018 doi:10.1002/anie.201810451. Selected as research highlight at Synfacts important insight. doi: 10.1055/s-0037-1611413
    • Janakiram Vaitla, Annette Bayer. Sulfoxonium ylide derived metal-carbenoids in organic synthesis (Review). Synthesis 2019, doi: 10.1055/s-0037-1610328
    • Glenn Morello, Hyong Zhong, Paul J. Chirik, Kathrin Helen Hopmann. Cobalt-Catalysed Alkene Hydrogenation: A Metallacycle Can Explain the Hydroxyl Activating Effect and the Diastereoselectivity Chemical Science 2018 doi: 10.1039/C8SC01315B
    • Ljiljana Pavlovic, Janakiram Vaitla, Annette Bayer, Kathrin Helen Hopmann. Rhodium-Catalyzed Hydrocarboxylation: Mechanistic Analysis Reveals Unusual Transition State for Carbon–Carbon Bond Formation. Organometallics 2018. doi: 10.1021/acs.organomet.7b00899
    • Marc Ferry Obst, Ljiljana Pavlovic, Kathrin Helen Hopmann. Carbon-carbon bonds with CO2: Insights from computational studies. Journal of Organometallic Chemistry 2018. doi: 10.1016/j.jorganchem.2018.02.020


    • Janakiram Vaitla, Kathrin Helen Hopmann, Annette Bayer. Rhodium-Catalyzed Synthesis of Sulfur Ylides via in Situ Generated Iodonium Ylides. Organic letters 2017. doi: 10.1021/acs.orglett.7b03413
    • Janakiram Vaitla, Yngve Guttormsen, Jere K. Mannisto, Ainara Nova, Timo Repo, Annette Bayer, Kathrin Helen HopmannEnantioselective Incorporation of CO2: Status and Potential. ACS Catalysis 20177, 7231–7244 ISSN 2155-5435. doi: 10.1021/acscatal.7b02306.
    • Morello, Glenn Robert, Hopmann, Kathrin Helen Hopmann.
      A Dihydride Mechanism Can Explain the Intriguing Substrate Selectivity of Iron-PNP-Mediated Hydrogenation. ACS Catalysis 2017. ISSN 2155-5435.s doi:
    • Vaitla, Janakiram; Bayer, Annette; Hopmann, Kathrin.
      Synthesis of Indoles and Pyrroles Utilizing Iridium Carbenes Generated from Sulfoxonium Ylides. Angewandte Chemie International Edition 2017, 56, 4277 – 4281. doi: 10.1002/anie.201610520
    • Skagseth, Susann; Akhter, Sundus; Paulsen, Marianne H; Muhammad, Zeeshan; Samuelsen, Ørjan; Leiros, Hanna-Kirsti S.; Bayer, Annette.
      Metallo-β-lactamase inhibitors by bioisosteric replacement: preparation, activity and binding. European Journal of Medicinal Chemistry 2017; Volum 135. ISSN 0223-5234.s 159 – 173.s doi: 10.1016/j.ejmech.2017.04.035.
    • Morello,G.R.
      Accurate prediction of emission energies with TD-DFT methods for platinum and iridium OLED materials J. Mol. Modelling.  23:174
      doi: 10.1007/s00894-017-3348-2

    For earlier publications, see here (K. Hopmann) and here (A. Bayer).