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Department of Chemistry

Publications

Jacob Overgaard's list of publications since 2010

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Tolborg, K., Jørgensen, M. R. V., Sist, M., Mamakhel, M. A. H., Overgaard, J. & Iversen, B. B. (2019). Low‐Barrier Hydrogen Bonds in Negative Thermal Expansion Material H₃[Co(CN)₆]. Chemistry: A European Journal, 25(27), 6814-6822. https://doi.org/10.1002/chem.201900358

Volpe, C., Meninno, S., Mirra, G., Overgaard, J., Capobianco, A. & Lattanzi, A. (2019). Direct α-Imination of N-Acyl Pyrazoles with Nitrosoarenes. Organic Letters, 21(13), 5305-5309. https://doi.org/10.1021/acs.orglett.9b01913

Bunting, P. C., Atanasov, M., Damgaard-Møller, E., Perfetti, M., Crassee, I., Orlita, M., Overgaard, J., van Slageren, J., Neese, F. & Long, J. R. (2018). A linear cobalt(II) complex with maximal orbital angular momentum from a non-Aufbau ground state. Science, 362(6421). https://doi.org/10.1126/science.aat7319

Craven, M., Nygaard, M. H., Zadrozny, J. M., Long, J. R. & Overgaard, J. (2018). Determination of d-Orbital Populations in a Cobalt(II) Single-Molecule Magnet Using Single-Crystal X-ray Diffraction. Inorganic Chemistry, 57(12), 6913-6920. https://doi.org/10.1021/acs.inorgchem.8b00513

Du, J. J., Hanrahan, J. R., Solomon, V. R., Williams, P. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2018). Exploring the Binding of Barbital to a Synthetic Macrocyclic Receptor; a Charge Density Study. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 122(11), 3031-3044. https://doi.org/10.1021/acs.jpca.7b11674

Du, J. J., Lai, F., Váradi, L., Williams, P. A., Groundwater, P. W., Platts, J. A., Hibbs, D. E. & Overgaard, J. (2018). Monoclinic paracetamol vs. Paracetamol-4,4^′ -bipyridine co-crystal; what is the difference? a charge density study. Crystals, 8(1), 1-16. [46]. https://doi.org/10.3390/cryst8010046

Du, J. J., Stanton, S. A., Williams, P. A., Ong, J. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2018). Using Electron Density to Predict Synthon Formation in a 4‑Hydroxybenzoic Acid: 4,4′-Bipyridine Cocrystal. Crystal Growth & Design, 18(3), 1786-1798. https://doi.org/10.1021/acs.cgd.7b01676

Enevoldsen, M. V., Overgaard, J., Pedersen, M. S. & Lindhardt, A. T. (2018). Organocatalyzed Decarboxylative Trichloromethylation of Morita-Baylis-Hillman Adducts in Batch and Continuous Flow. Chemistry: A European Journal, 24(5), 1204-1208. https://doi.org/10.1002/chem.201704972

Fugel, M., Jayatilaka, D., Hupf, E., Overgaard, J., Hathwar, V. R., Macchi, P., Turner, M. J., Howard, J. A. K., Dolomanov, O. V., Puschmann, H., Iversen, B. B., Bürgi, H. B. & Grabowsky, S. (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), 32-44. https://doi.org/10.1107/S2052252517015548

Kasai, H., Tolborg, K., Sist, M., Zhang, J., Hathwar, V. R., Filsø, M., Cenedese, S., Sugimoto, K., Overgaard, J., Nishibori, E. & Iversen, B. B. (2018). X-ray electron density investigation of chemical bonding in van der Waals materials. Nature Materials, 17(3), 249-252. https://doi.org/10.1038/s41563-017-0012-2

Klahn, E. A., Gao, C., Gillon, B., Gukasov, A., Fabreges, X., Piltz, R. O., Jiang, S. & Overgaard, J. (2018). Mapping the magnetic anisotropy at the atomic scale in dysprosium single molecule magnets. Chemistry: A European Journal, 24(62), 16576-16581. https://doi.org/10.1002/chem.201803300

Thomsen, M. K., Gatti, C. & Overgaard, J. (2018). Probing Cyclic π-Electron Delocalization in an Imidazol-2-ylidene and a Corresponding Imidazolium Salt. Chemistry: A European Journal, 24(19), 4973-4981. https://doi.org/10.1002/chem.201800014

Andersen, T., Kramer, S., Overgaard, J. & Skrydstrup, T. (2017). Evidence for Single-Electron Pathways in the Reaction between Palladium(II) Dialkyl Complexes and Alkyl Bromides under Thermal and Photoinduced Conditions. Organometallics, 36(11), 2058-2066. https://doi.org/10.1021/acs.organomet.6b00893

Eikeland, E. Z., Blichfeld, A. B., Borup, K., Zhao, K., Overgaard, J., Shi, X., Chen, L. & Iversen, B. B. (2017). Crystal structure across the β to α phase transition in thermoelectric Cu₂−_xSe. IUCrJ, 4, 476-485. https://doi.org/10.1107/S2052252517005553

Eikeland, E. Z., Thomsen, M., Overgaard, J., Spackman, M. A. & Iversen, B. B. (2017). Intermolecular Interaction Energies in Hydroquinone Clathrates at High Pressure. Crystal Growth & Design, 17(7), 3834-3846. https://doi.org/10.1021/acs.cgd.7b00408

Flinker, M., Yin, H., Juhl, R. W., Eikeland, E. Z., Overgaard, J., Nielsen, D. U. & Skrydstrup, T. (2017). Efficient Water Reduction with sp3-sp3 Diboron(4) Compounds: Application to Hydrogenations, H-D Exchange Reactions and Carbonyl Reductions. Angewandte Chemie International Edition, 56(50), 15910-15915. https://doi.org/10.1002/anie.201709685

Hathwar, V. R., Stingaciu, M., Richter, B., Overgaard, J. & Iversen, B. B. (2017). Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 73(Pt 2), 304-312. https://doi.org/10.1107/S2052520616019235

Meninno, S., Overgaard, J. & Lattanzi, A. (2017). Amine Thiourea Catalysed Double Michael Reaction: An Approach for the Asymmetric Synthesis of Spiro[pyrazolone-4,3′-tetrahydrothiophenes]. Synthesis, 49(7), 1509-1518. https://doi.org/10.1055/s-0036-1588725

Meninno, S., Roselli, A., Capobianco, A., Overgaard, J. & Lattanzi, A. (2017). Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones. Organic Letters, 19(19), 5030-5033. https://doi.org/10.1021/acs.orglett.7b02189

Meninno, S., Zullo, L., Overgaard, J. & Lattanzi, A. (2017). Tunable Cinchona-Based Thioureas-Catalysed Asymmetric Epoxidation to Synthetically Important Glycidic Ester Derivatives. Advanced Synthesis & Catalysis, 359(6), 913-918. https://doi.org/10.1002/adsc.201700146

Du, J. J., Váradi, L., Williams, P. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2016). An analysis of the experimental and theoretical charge density distributions of the piroxicam–saccharin co-crystal and its constituents. RSC Advances, 6(85), 81578-81590. https://doi.org/10.1039/C6RA10411H

Eikeland, E., Thomsen, M., Madsen, S. R., Overgaard, J., Spackman, M. A. & Iversen, B. B. (2016). Structural Collapse of the Hydroquinone–Formic Acid Clathrate: A Pressure-Medium-Dependent Phase Transition. Chemistry: A European Journal, 22(12), 4061-4069. https://doi.org/10.1002/chem.201504908

Hathwar, V. R., Thomsen, M. K., Mamakhel, M. A. H., Filsø, M. Ø., Overgaard, J. & Iversen, B. B. (2016). Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 120(38), 7510-7518. https://doi.org/10.1021/acs.jpca.6b06588

Lai, F., Du, J. J., Williams, P. A., Váradi, L., Baker, D., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2016). A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam. Physical Chemistry Chemical Physics, 18(41), 28802-28818. https://doi.org/10.1039/c6cp02690g

Madsen, S. R., Moggach, S. A., Overgaard, J. & Brummerstedt Iversen, B. (2016). Anisotropic compressibility of the coordination polymer emim[Mn(btc)]. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 72(3), 389-94. https://doi.org/10.1107/S2052520616005515

Displaying results 26 to 50 out of 152

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Jacob Overgaard