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Department of Chemistry

Publications

Jacob Overgaard's list of publications since 2010

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Leiszner, S. S., Chakarawet, K., Long, J. R., Nishibori, E., Sugimoto, K., Platts, J. A. & Overgaard, J. (2023). Electron Density Analysis of Metal-Metal Bonding in a Ni₄ Cluster Featuring Ferromagnetic Exchange. Inorganic Chemistry, 62(1), 192-200. https://doi.org/10.1021/acs.inorgchem.2c03170

Parmar, V. S., Thiel, A. M., Nabi, R., Gransbury, G. K., Norre, M. S., Evans, P., Corner, S. C., Skelton, J. M., Chilton, N. F., Mills, D. P. & Overgaard, J. (2023). Influence of pressure on a dysprosocenium single-molecule magnet. Chemical Communications, 59(18). https://doi.org/10.1039/D2CC06722F

Gupta, S. K., Nielsen, H. H., Thiel, A. M., Klahn, E. A., Feng, E., Cao, H. B., Hansen, T. C., Lelièvre-Berna, E., Gukasov, A., Kibalin, I., Dechert, S., Demeshko, S., Overgaard, J. & Meyer, F. (2023). Multi-Technique Experimental Benchmarking of the Local Magnetic Anisotropy of a Cobalt(II) Single-Ion Magnet. JACS Au, 3(2), 429-440. https://doi.org/10.1021/jacsau.2c00575

Hawkins, B. A., Du, J. J., Lai, F., Stanton, S. A., Williams, P. A., Groundwater, P. W., Platts, J. A., Overgaard, J. & Hibbs, D. E. (2022). An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization. RSC Advances, 12(25), 15670-15684. https://doi.org/10.1039/d1ra08389a

Franco, F., Meninno, S., Overgaard, J., Rossi, S., Benaglia, M. & Lattanzi, A. (2022). Catalytic Enantioselective Entry to Triflones Featuring a Quaternary Stereocenter. Organic Letters, 24(24), 4371-4376. https://doi.org/10.1021/acs.orglett.2c01589

Kiehl, J., Hochdörffer, T., Carrella, L. M., Schünemann, V., Nygaard, M. H., Overgaard, J. & Rentschler, E. (2022). Pronounced Magnetic Bistability in Highly Cooperative Mononuclear [Fe(L^npdtz)₂(NCX)₂] Complexes. Inorganic Chemistry, 61(7), 3141-3151. https://doi.org/10.1021/acs.inorgchem.1c03491

Meninno, S., Carratù, M., Overgaard, J. & Lattanzi, A. (2021). Diastereoselective Synthesis of Functionalized 5-Amino-3,4-Dihydro-2H-Pyrrole-2-Carboxylic Acid Esters: One-Pot Approach Using Commercially Available Compounds and Benign Solvents. Chemistry - A European Journal, 27(14), 4573-4577. https://doi.org/10.1002/chem.202005262

Du, J. J., Stanton, S. A., Fakih, S., Hawkins, B. A., Williams, P. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2021). Exploring the Solubility of the Carbamazepine-Saccharin Cocrystal: A Charge Density Study. Crystal Growth and Design, 21(8), 4259-4275. https://doi.org/10.1021/acs.cgd.8b01111

Klahn, E. A., Thiel, A. M., Degn, R. B., Kibalin, I., Gukasov, A., Wilson, C., Canaj, A. B., Murrie, M. & Overgaard, J. (2021). Magnetic anisotropies of Ho(III) and Dy(III) single-molecule magnets experimentally determined via polarized neutron diffraction. Dalton Transactions (Print Edition), 50(40), 14207-14215. https://doi.org/10.1039/D1DT01959G

Klahn, E. A., Damgaard-Møller, E., Krause, L., Kibalin, I., Gukasov, A., Tripathi, S., Swain, A., Shanmugam, M. & Overgaard, J. (2021). Quantifying magnetic anisotropy using X-ray and neutron diffraction. IUCrJ, 8(5), 833-841. https://doi.org/10.1107/S2052252521008290

Tripathi, S., Vaidya, S., Ahmed, N., Klahn, E. A., Cao, H., Spillecke, L., Koo, C., Spachmann, S., Klingeler, R., Rajaraman, G., Overgaard, J. & Shanmugam, M. (2021). Structure-property correlation in stabilizing axial magnetic anisotropy in octahedral Co(II) complexes. Cell Reports, 2(4), [100404]. https://doi.org/10.1016/j.xcrp.2021.100404

Legendre, C. M., Damgaard-Møller, E., Overgaard, J. & Stalke, D. (2021). The Quest for Optimal 3 d Orbital Splitting in Tetrahedral Cobalt Single-Molecule Magnets Featuring Colossal Anisotropy and Hysteresis. European Journal of Inorganic Chemistry, 2021(30), 3108-3114. https://doi.org/10.1002/ejic.202100465

Krause, L., Tolborg, K., Grønbech, T. B. E., Sugimoto, K., Iversen, B. B. & Overgaard, J. (2020). Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector. Journal of Applied Crystallography, 53(3), 635-649. https://doi.org/10.1107/S1600576720003775

Grønbech, T. B. E., Tolborg, K., Svendsen, H., Overgaard, J., Chen, Y-S. & Iversen, B. B. (2020). Chemical bonding in colossal thermopower FeSb₂. Chemistry - A European Journal, 26(39), 8651-8662. https://doi.org/10.1002/chem.202001643

Norre, M. S., Gao, C., Dey, S., Gupta, S. K., Borah, A., Murugavel, R., Rajaraman, G. & Overgaard, J. (2020). High-Pressure Crystallographic and Magnetic Studies of Pseudo-D_5h Symmetric Dy(III) and Ho(III) Single-Molecule Magnets. Inorganic Chemistry, 59(1), 717-729. https://doi.org/10.1021/acs.inorgchem.9b02962

Thiel, A. M., Damgaard-Møller, E. & Overgaard, J. (2020). High-Pressure Crystallography as a Guide in the Design of Single-Molecule Magnets. Inorganic Chemistry, 59(3), 1682-1691. https://doi.org/10.1021/acs.inorgchem.9b02794

Shukla, P., Ansari, K. U., Gao, C., Vaidya, S., Tripathi, S., Kumar, P., Butcher, R. J., Overgaard, J. & Shanmugam, M. (2020). Influence of anion induced geometry change in Zn(II) on the magnetization relaxation dynamics of Dy(III) in Zn–Dy–Zn complexes. Dalton Transactions (Print Edition), 49(30), 10580-10593. https://doi.org/10.1039/d0dt00949k

Damgaard-Møller, E., Krause, L., Lassen, H., Malaspina, L. A., Grabowsky, S., Bamberger, H., McGuire, J., Miras, H. N., Sproules, S. & Overgaard, J. (2020). Investigating Complex Magnetic Anisotropy in a Co(II) Molecular Compound: A Charge Density and Correlated Ab Initio Electronic Structure Study. Inorganic Chemistry, 59(18), 13190-13200. https://doi.org/10.1021/acs.inorgchem.0c01489

Gao, C., Genoni, A., Gao, S., Jiang, S., Soncini, A. & Overgaard, J. (2020). Observation of the asphericity of 4f-electron density and its relation to the magnetic anisotropy axis in single-molecule magnets. Nature Chemistry, 12(2), 213-219. https://doi.org/10.1038/s41557-019-0387-6

Damgaard-Møller, E., Krause, L., Tolborg, K., Macetti, G., Genoni, A. & Overgaard, J. (2020). Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density. Angewandte Chemie International Edition, 59(47), 21203-21209. https://doi.org/10.1002/anie.202007856

Eikeland, E. Z., Borup, M., Thomsen, M. K., Roelsgaard, M., Overgaard, J., Spackman, M. A. & Iversen, B. B. (2020). Single-Crystal High-Pressure X-ray Diffraction Study of Host Structure Compression in Clathrates of Dianin's Compound. Crystal Growth & Design, 20(6), 4092-4099. https://doi.org/10.1021/acs.cgd.0c00360

Triki, H., Nagy, B., Overgaard, J., Jensen, F. & Kamoun, S. (2020). Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complex. Structural Chemistry, 31(1), 103-114. https://doi.org/10.1007/s11224-019-01380-3

Larsen, F. K., Hasen Mamakhel, A., Overgaard, J., Jørgensen, J. E., Kato, K. & Brummerstedt Iversen, B. (2019). Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH 4 SCN. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 75, 621-633. https://doi.org/10.1107/S2052520619005791

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

Gao, C., Macetti, G. & Overgaard, J. (2019). Experimental X-ray Electron Density Study of Atomic Charges, Oxidation States, and Inverted Ligand Field in Cu(CF₃)₄ ^-. Inorganic Chemistry, 58(3), 2133-2139. https://doi.org/10.1021/acs.inorgchem.8b03226

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Jacob Overgaard