Molecular machinery

This is a collaborative project with the University of Colorado at Boulder in the USA. We are particularly interested in dipolar molecular rotors, which can be examined individually or in regular arrays of two or three dimensions. Initial structures are evaluated by computer simulation using molecular dynamics, mostly in Prague. Suitable components for selected structures are synthesized in Prague and assembled into rotors in Boulder. Dielectric and optical studies are mostly performed in Boulder, where uniquely sensitive instrumentation is available for molecular submonolayers.

Molecular conductors

We are looking for new types of molecular structures capable of carrying electric current, either as individual molecules or as bulk material. One of our current goals are deeply doped polyacetylenes, with only about half of the usual number of pi electrons. Another current goal are three-dimensionally fully conjugated systems built from icosahedral carborane anions, which promise to have a selectable redox potential. As a part of the search for new conducting structures we are also examining transition metal derivatives of highly alkylated monocarbadodecaborate anions.

New types of functionalities for molecular self-assembly and attachment to surfaces

The currently almost exclusively used alkanethiols have many advantages but also some disadvantages, such as sensitivity to oxidation and poor electrical contact to metal surfaces. We are attempting to find out whether replacement of the sulfur atom with atoms of other elements would alleviate these problems.