Intramolecular Magnetic Interaction Controlled by Redox Reaction of Tetraphenylethylene-Based Spin System

Abstract In order to investigate the possibility of a redox-switchable intramolecular magnetic interaction converting system, the electronic structures of the model compounds of 1,2-bis[x-( N - tert -butylaminoxyl)phenyl]-1,2-bis[4-{ N , N -bis(4-methoxyphenyl)amino}phenyl] ethylene (x = 4, p , p ′- 1 ; x = 3, m , m ′- 1 ) were examined theoretically with the hybrid DFT method. It was found that these molecular systems can operate as a redox switch and change their electronic structures depending on the substituted position of nitroxide radicals.