Preparation and electrochemistry properties of trifunctional 1,9-dithiophenalenylium salt and its neutral radical with benzene spacer

A trifunctional 1,9-dithiophenalenylium salt with benzene spacer has been prepared as the precursor for a phenalenyl-based high spin radical. Electrochemical studies show that this salt undergoes two three-electron reduction steps and generate its corresponding neutral radical, which has been studied by quantum chemical calculations. The investigation of the spin density distribution of the radical revealed that the spin and electronic properties of molecules based on phenalenyl systems are strongly influenced by intramolecular topology connection.