Jan Blasius
  • Mulliken Center for Theoretical Chemistry (MCTC)
  • German Chemical Society (GDCh)
  • Theoretical Chemistry
  • (Ab Initio) Molecular Dynamics
  • Vibrational Spectroscopy
  • Vibrational Circular Dichroism
  • Ionic Liquids
  • Bulk Effects
Jan Blasius is a Ph.D. student in the research group of Prof. Barbara Kirchner. He studied chemistry at the Rheinische Friedrich-Wilhelms University of Bonn (Germany) and obtained his B.Sc. (2017) and M.Sc. degrees (2019) after work in the group of Barbara Kirchner. In his B.Sc. thesis he investigated a new theoretical approach for the prediction of mole fraction dependent acid dissociation. During his master studies he started to work in the field of molecular chirality and optical activity. In his M.Sc. thesis, he investigated and developed static and dynamic approaches for the calculation of vibrational circular dichroism spectra in the liquid state. He continues this work in his Ph.D. project and uses the developed methods to investigate chiral phenomena (e.g., chirality transfer) in the condensed phase.
Ausgewählte Publikationen
  • J. Blasius, P. Zaby, O. Hollóczki, B. Kirchner, Recognition in Chiral Ionic Liquids: The Achiral Cation Makes the Difference!, J. Org. Chem. (2022), 87, 1867-1873. 10.1021/acs.joc.1c00939
  • J. Blasius, B. Kirchner, Cluster-Weighting in Bulk Phase Vibrational Circular Dichroism, J. Phys. Chem. B (2020), 124, 7272-7283. DOI: 10.1021/acs.jpcb.0c06313
  • J. Blasius, R. Elfgen, O. Hollóczki, B. Kirchner, Glucose in Dry and Moist Ionic Liquid: Vibrational Circular Dichroism, IR, and Possible Mechanisms, Phys. Chem. Chem. Phys. (2020), 22, 10726-10737. DOI: 10.1039/C9CP06798A
  • J. Blasius, J. Ingenmey, E. Perlt, M. von Domaros, O. Hollóczki, B. Kirchner, Predicting Mole-Fraction-Dependent Dissociation for Weak Acids, Angew. Chem. Int. Ed. (2019), 58, 3212-3216. DOI: 10.1002/anie.201811839
    J. Blasius, J. Ingenmey, E. Perlt, M. von Domaros, O. Hollóczki, B. Kirchner, Dissoziation schwacher Säuren über den gesamten Molenbruchbereich, Angew. Chem. (2019), 131, 3245-3249. DOI: 10.1002/ange.201811839
Jan Blasius

B6 1.003

Beringstr. 4+6

53115 Bonn

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