Professor Dmitry Matyushov, of Arizona State University, is supported by the Theoretical and Computational Chemistry Program to develop and apply computational theories amenable to the study of electron transfer reactions in liquid crystalline media. The research deals with predicting how the structural properties of molecules change during electron transfer reactions. The research is relevant to the area of molecular electronics, optoelectronics, liquid crystals and related orientational order in films, photosynthesis and spontaneous neutral-ion phase transitions in molecular charge-transfer processes. The theoretical approach relies on microscopic modeling of electric potential fluctuations, a phenomenological macroscopic theory of electron transfer reactions and computer simulations of donor-acceptor complexes in liquid crystal solvents.
The ability to externally and remotely control the structure of molecular constituents in solution or crystals has many useful applications in technology and to society. Such control may be indirectly accomplished by subjecting the system to low levels of laser light that is tuned to rearrange the electrons within molecules. The resulting electronic rearrangement may then promote structural changes of the molecules that can change the properties of the material. Theoretical and computational methods are developed that enable the prediction and optimization of such structural changes. Potential technological impacts are numerous and include artificial assembled retinas, the understanding of photosynthesis, and improved flat panel displays.
