Molecular Tinkertoy Construction Kit: Computer Simulations of Molecular Propellers and Paddle Wheels

摘要

We calculated the friction coefficients and their dependence on rotation frequency in carborane rotors and propellers. A paper on this is almost ready for submission. A copy of the draft is attached. Our results indicate that molecular rotors can be used to control friction of surfaces to some extend. Further investigation is needed. A new phenomelogical model of molecular propeller action was designed. Its performance is currently being tested also for porphyrin types of rotors. We designed a new generation of our light-absorption driven molecular motor.