Dipole moments and solvatochromism of metal complexes: principle photophysical and theoretical approach.
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.
Institute of Problems of Chemical Physics, Russian Academy of Sciences, Acad. Semenov Ave., 1, Chernogolovka, Moscow Region 142432, Russian Federation. gloukova@mail.ru.
Galina V
GV
Loukova
Alexey A
AA
Milov
Vladimir P
VP
Vasiliev
Vladimir I
VI
Minkin