Take the step towards a career in organic chemistry and biochemistry...
Publications
All publications
Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction
Journal of the American Chemical Society 2024: Early View
We investigate the electronic structure of aromatic radical anions in the solution phase employing a combination of liquid-jet (LJ) photoelectron (PE) spectroscopy measurements and electronic structure calculations. By using recently developed protocols, we accurately determine the vertical ionization energies of valence electrons of both the solvent and the solute molecules. In particular, we first characterize the pure solvent of tetrahydrofuran (THF) by LJ-PE measurements in conjunction with ab initio molecular dynamics simulations and G0W0 calculations. Next, we determine the electronic structure of neutral naphthalene (Np) and benzophenone (Bp) as well as their radical anion counterparts Np– and Bp– in THF. Wherever feasible, we performed orbital assignments of the measured PE features of the aromatic radical anions, with comparisons to UV–vis absorption spectra of the corresponding neutral molecules being instrumental in rationalizing the assignments. Analysis of the electronic…
Photoprintable Radiopaque Hydrogels for Regenerative Medicine
ACS Applied Energy Materials 2024: Early View
Bioorthogonal Chemistry in Cellular Organelles
Topics in Current Chemistry 382 (1): 2 (2024)
SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein–ligand binding affinity predictions in minutes
Nature Communications 15: 1127 (2024)
Electronic Structure of Metalloporphenes, Antiaromatic Analogues of Graphen
Journal of the American Chemical Society 2024: Early View