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 boron-bridged 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 electron-accepting character of the B₂N₆ scaffold.