27 September 2022 0 6K Report

I research heavy metal phosphorescent tetradentate complexes. I need to find the ts between 3mc state and 3es state ,and 3mc.I read some documents. The method used by some researchers is that the flexible scanning specific dihedral angle(DOI: 10.1039/d1mh00552a),the others obtained 3mc by stretching the metal coordination bond(DOI: 10.1002/aoc.6072). I want to know the specific process of the methods and the standard for judging the ts and 3mc state.

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