Project abstract for group nemykinv

Modeling of Electronic Structures and Excited State Properties of Organometallic Chromophores

This project uses a theoretical approach for characterization of electronic structure and excited states of ferrocenyl-containing nanocarbon BODIPY, azaBODIPY, and porphyrin supramolecular assemblies, which will provide a detailed understanding of factors influencing the metal-metal coupling as well as redox- and photoinduced electron-transfer processes in these systems. The understanding of through-bond and though-space interactions between donor, antennae, and nanocarbon acceptor subunits in the same molecule is very important and can potentially lead to the preparation of nanoscale functional materials with desired properties. Proposed systems could be potentially useful for application in nanotechnology and specifically in light-harvesting modules of the solar cells.

This research was featured in an MSI Research Spotlight in August 2014.

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