Biomolecular Chemistry, Chemistry
Our program focuses on understanding the structural, electronic and other properties on the basis of molecular orbital and crystal orbital calculations and on designing new materials with desirable physical properties. One group of such materials which we have interest in are synthetic metals: materials with metallic properties containing elements other than metallic ones. We consider structural and electronic properties together. We have established structure-property relationships for several classes of conducting polymers, including new ladder-type polymers with delocalized electrons. The terms ‘artificial muscle’ and ‘molecular actuator’ refer to molecules that can change their size upon stimuli such as electrochemical potential change. Actuation effects in polymers and nanotubes are interpreted in this research using molecular orbital calculations.