PUBLICATIONS

Publications from the CHOCO group

2022

  • 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. https://doi.org/10.1039/D2CC00446A
    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. https://doi.org/10.1039/D1SC06346D
    Graphical abstract: Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds

2021

  • 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. https://doi.org/10.1039/D1CY01433A
  • Ashot Gevorgyan, Kathrin Helen Hopmann, Annette Bayer. Lipids as versatile solvents for chemical synthesis, Green Chem., 2021, Accepted Manuscript, https://doi.org/10.1039/D1GC02311J
  • 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. https://doi.org/10.26434/chemrxiv.13669951.v1
    Figure
  • 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, https://doi.org/10.1002/ejoc.202001469 (online in 2020).

    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. https://munin.uit.no/handle/10037/18958 (Main supervisor K. H. Hopmann)
  • Ljiljana Pavlovic. Towards Enantioselective Carboxylation and Hydrogenation Reactions (Quantum Chemical Modelling of Homogeneous Reactions). Doctoral thesis 2020.  https://munin.uit.no/handle/10037/18943 (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

    2019

    • 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

    2018

    • 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

    2017

    • 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: http://dx.doi.org/10.1021/acscatal.7b00764
    • 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).