Substituent Effect on the Boron Atoms in Boron-Bridged Hexazenes

Abstract

This work investigates the substituent effect on the boron atom toward the electronic structure and optical properties of boronbridged hexazene derivatives (B₂N₆). DFT studies revealed that the substituents on the boron atom strongly affect the energy level of the N₆-centered π system and alter the absorption/emission spectra. In addition, cyclic voltammetry demonstrates the electronaccepting character of the B₂N₆ scaffold.