B.Sc. Tom Calmus
Graduated at the Technical University of Munich under the guidance of Prof. Johannes A. Lercher in 2019.
Joined the team in January 2021.
Room No.: 4040
Phone: 089 289 54134
One part of the work consists in a qualitative DFT Study on the pillarplex system. The goal of this theoretical study is the investigation of the interaction between the guest molecule and the pillarplex. In addition to the theoretical characterization of the system the encapsulation of several model compounds, such as crotonaldehyde will be tested experimentally. The aim will be to determine the different coordination sites between the guest molecule and the pillarplex host. In a second step the energy of those sites will quantified to determine the binding selectivity during encapsulation. This knowledge could then be used to understand the mechanism of selective isomer encapsulation during isomer separation.