AK Herrmann – Theoretical Chemistry
The group for Theoretical Chemistry was established at the University
of Hamburg in May 2011.
Research interests Our research focus is on molecular electronics, which refers to the investigation of molecules as elements
in electronic circuits or materials, and on molecular magnetism, that is, on studying molecules with magnetic properties.
These systems are described and their properties are computed by quantum chemical means.
They are interesting on the one hand because of the promise they hold as miniature building blocks
for technological applications, for example as photoswitches for the magnetic properties of molecular
compounds (see Figure 1). Due to their dimensions they may show quantum effects which cannot be
exploited in macroscopic systems. On the other hand they are interesting for intellectual reasons,
for example when studying to what extent it is possible to transfer concepts between molecular
bridges in different chemical environments. These may be, among others, spin centers
(Figure 2, left) or macroscopic electrodes (Figure 2, right). We are also interested in vibrational
spectroscopy (Figure 3).
Prof. Dr. Carmen Herrmann
Department of Inorganic and Applied Chemistry
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