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Institut for Kemi

Publikationer

Jacob Overgaards publikationsliste siden 2010

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Overgaard, J., Iversen, B. B., Palii, S., Timco, G. A., Gerbeleu, N. V. & Larsen, F. K. (2002). Host-Guest Chemistry of the Chromium-Wheel Complex [Cr8F8(tBuCO2)16]: Prediction of Inclusion Capabilities by Using an Electrostatic Potential Distribution Determined by Modeling Synchrotron X-ray StructureFact. Chemistry: A European Journal, 8, 2775-2786.

Clausen, H. F., Jørgensen, M. R. V., Cenedese, S., Schmøkel, M. S., Christensen, M., Chen, Y-S., Koutsantonis, G. A., Overgaard, J., Spackman, M. & Iversen, B. B. (2014). Host Perturbation in a β-Hydroquinone Clathrate Studied by Combined X-ray/Neutron Charge-Density Analysis: Implications for Molecular Inclusion in Supramolecular Entities. Chemistry: A European Journal, 20(26), 8089-8098. https://doi.org/10.1002/chem.201400129

Larsen, F. K., Overgaard, J., Parsons, S., Rentschler, E., Smith, A. A., Timco, G. A. & Winpenny, R. E. P. (2003). Horseshoes, Rings, and Distorted Rings: Studies of Cyclic Chromium-Fluoride Cages. Angewandte Chemie International Edition, 42, 5978-5981.

Madsen, S. R., Overgaard, J., Stalke, D. & Iversen, B. B. (2015). High-pressure single crystal X-ray diffraction study of the linear metal chain compound Co₃(dpa)₄Br₂·CH₂Cl₂. Dalton Transactions (Print Edition), 44(19), 9038-9043. https://doi.org/10.1039/c5dt00447k

Wu, L-C., Overgaard, J., Madsen, S. R., Schmøkel, M. S. & Iversen, B. B. (2013). High-pressure Single-crystal X-ray Diffraction Study of the Photomagnetic Switching Complex — [Y(DMF)₄(H₂O)₃(μ-CN)Fe(CN)₅]·H₂O. Journal of the Chinese Chemical Society, 60(7), 929-934. https://doi.org/10.1002/jccs.201300176

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

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

Wu, L. C., Nielsen, M. B., Bremholm, M., Madsen, S. R., Overgaard, J., Newville, M., Chen, Y. S. & Iversen, B. B. (2015). High pressure induced charge transfer in 3d-4f bimetallic photomagnetic materials. Chemical Communications, 51(42), 8868-8871. https://doi.org/10.1039/c5cc00603a

Svendsen, H., Overgaard, J., Chevallier, M-A. S. & Iversen, B. B. (2006). Hexaaqua-1 k³O,3k³ O-tri-m-cyano-1:2k²N:C;2:3k²C:N;3:4k²N:C-nonacyano-2k⁴C,4k⁵C-pentakis(N,N-dimethylacetamide)-1k3O,3k²O-diiron(III)diytterbium(III) dihydrate. Acta Crystallographica. Section E: Structure Reports Online, 62(4), 793-795. https://doi.org/10.1107/S160053680600883X

Morgenroth, W., Overgaard, J., Clausen, H. F., Svendsen, H., Jørgensen, M. R. V., Larsen, F. K. & Iversen, B. B. (2008). Helium cryostat synchrotron charge densities determined using a large CCD detector - the upgraded beamline D3 at DESY. Journal of Applied Crystallography, 41, 846-853.

Mi, J., Jensen, T. N., Hald, P., Overgaard, J., Christensen, M. & Iversen, B. B. (2012). Glucose-assisted continuous flow synthesis of Bi2Te3 nanoparticles in supercritical/near-critical water. Journal of Supercritical Fluids, 67(0), 84-88. https://doi.org/10.1016/j.supflu.2012.03.009

Platts, J. A., Overgaard, J., Jones, C., Iversen, B. B. & Stasch, A. (2011). First Experimental Characterization of a Non-nuclear Attractor in a Dimeric Magnesium(I) Compound. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 115, 194-200. https://doi.org/10.1021/jp109547w

Christensen, M., Johnsen, S., Søndergaard, M., Overgaard, J., Birkedal, H. & Iversen, B. B. (2009). Fast Preparation and Characterization of Quartenary Thermoelectric Clathrates. Chemistry of Materials, 21, 122-127.

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

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

Overgaard, J., Turel, I. & Hibbs, D. E. (2007). Experimental electron density study of a complex between copper(II) and the antibacterial quinolone family member ciprofloxacin. Dalton Transactions (Print Edition), 2171-2178.

Hibbs, D. E., Overgaard, J., Howard, S. T. & Nguyen, T. H. (2005). Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate. Organic & Biomolecular Chemistry, 3, Advance article.

Overgaard, J., Larsen, F. K., Timco, G. A. & Iversen, B. B. (2009). Experimental charge density in an oxidized trinuclear iron complex using 15 K synchrotron and 100 K conventional single-crystal X-ray diffraction. Dalton Transactions (Print Edition), 4, 664-671.

Overgaard, J., Platts, J. A. & Iversen, B. B. (2009). Experimental and theoretical charge-density study of a tetranuclear cobalt carbonyl complex. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 715-723.

Overgaard, J., Hibbs, D. E., Rentschler, E., Timco, G. A. & Larsen, F. K. (2003). Experimental and Theoretical Electron Density Distribution and Magnetic Properties of the Butterfly-like Complex [Fe4(O2(O2CCMe3)8(NC5H4Me)2]2CH3CN. Inorg. Chem., 42, 7593-7601.

Overgaard, J., Clausen, H. F., Platts, J. A. & Iversen, B. B. (2008). Experimental and Theoretical Charge Density Study of Chemical Bonding in a Co Dimer Complex. Journal of the American Chemical Society, 130, 3834-3843.

Hibbs, D. E., Overgaard, J., Platts, J. A., Waller, M. P. & Hursthouse, M. B. (2004). Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile. J. Phys. Chem. B., 108, 3663-3672.

Overgaard, J., Waller, M. P., Piltz, R., Platts, J. A., Emseis, P., Leverett, P., Williams, P. A. & Hibbs, D. E. (2007). Experimental and Theoretical Charge Density Distribution in Two Ternary Cobalt(III) Complexes of Aromatic Amino Acids. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111, 10123-10133.

Jørgensen, M. R. V., Cenedese, S., Clausen, H. F., Overgaard, J., Chen, Y-S., Gatti, C. & Iversen, B. B. (2013). Experimental and Theoretical Charge Densities of a Zinc-Containing Coordination Polymer, Zn(HCOO)₂(H₂O)₂. Inorganic Chemistry, 52(1), 297-305. https://doi.org/10.1021/ic301918x

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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Revideret 09.06.2022

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Jacob Overgaard