Dipole moments and solvatochromism of metal complexes: principle photophysical and theoretical approach.
نویسندگان
چکیده
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.
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ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 18 27 شماره
صفحات -
تاریخ انتشار 2016