Dipole moments and solvatochromism of metal complexes: principle photophysical and theoretical approach

Abstract

For metal-based compounds, the ground- and excited-state dipole moments and the difference thereof are, for the first time, obtained both experimentally and theoretically using solvatochromic equations and DFT/B3LYP/QZVP calculations. The approach is suggested to be promising and easily accessible, and can be universal to elucidate the electronic properties of metal-based compounds.