Associate Professor
Department of Chemistry
Aarhus
Denmark
jacobo@chem.au.dk

 

Academic degrees
2001 PhD in Chemistry, Aarhus University
2015 Dr. Scient., Aarhus University
 

Scientific positions
2002-2004 Postdoc, University of Sydney
2004-2005 Postdoc, Aarhus University
2005-2010 Staff Crystallographer, Aarhus University
2010-2020 Senior Researcher, Aarhus University
2020- Associate Professor, Aarhus University

 

Doctoral Dissertation Jacob Overgaard - PURE abstract and link:
Applications of electron density studies in molecular and solid state science (2015)

 

Research areas

Latest publications

  • Published

Magnetic anisotropies of Ho(III) and Dy(III) single-molecule magnets experimentally determined via polarized neutron diffraction

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • Published

Exploring the Solubility of the Carbamazepine-Saccharin Cocrystal: A Charge Density Study

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

  • Published

Quantifying magnetic anisotropy using X-ray and neutron diffraction

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

Lecture 4: Jacob Overgaard

Quantum Crystallography in molecular magnetism

Jacob Overgaard, Aarhus University

Molecular magnetism is a generic term that encompasses all molecular constructs having magnetic properties of some type. Thus, it covers spin cross-over systems, spintronics and molecular nanomagnets, to name just a few. The magnetic properties are obviously controlled by the unpaired electrons in the system, and given the fact that quantum crystallography (QCr) at its core exploits diffraction methods that reveal details of the electron density distribution, both the total and the spin-resolved density, we are ideally suited to probe magnetic properties with QCr tools.

In this presentation, I will focus on the application of QCr to the study of molecular nanomagnets (MNM). MNMs are molecular coordination compounds that below a blocking-temperature exhibits a hysteresis loop, i.e. the magnetization vs magnetic field curve opens up and conveys a memory effect to this class of materials. Naturally, this observation has triggered a lot of attention as it may be useful as extremely small memory bits, or in a more advanced application take the role as qubits in quantum computing.

In this talk, I will specifically explain how we in my research group at Aarhus University have used synchrotron X-ray diffraction to first derive the electron density distribution in a range of MNMs and subsequently used this knowledge to calculate important parameters of high relevance for the function of MNMs. If time allows, I will also explain how polarized neutron diffraction can be used to reveal complementary information about the magnetic properties in MNMs.