Theoretical Investigations and Attempted Synthesis of Organic Magnetic Polymers and Oligomers.

摘要

This project was aimed at designing magnetic properties in new materials, particularly organic polyradicals. We desired to use semiempirical molecular orbital plus configuration interaction computational methods to predict what types of structural features are most important in maximizing desirable ferromagnetic exchange interactions within organic systems (intramolecular exchange). Once appropriate structural models were delineated by theory, we also aimed to develop a solid-state photochemical method to generate phenoxyl radical sites in a polymeric material. Use of a solid-state polyradical synthesis method would allow masking techniques for production of magnetic sites on a surface, and would minimize the kinds of radical quenching reactions that tend to reduce stability of radicals under free diffusion (solution) conditions.