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Effect of deprotonation on the magnetic exchange coupling constant of fluorene‐based verdazyl diradical: A computational study
Abstract:The magnetic behavior of the fluorene bridged verdazyl diradicals has been studied theoretically in their neutral and deprotonated states. The deprotonation of C9‐H site of the fluorene ring opens a new coupling pathway, which changes the nature of magnetic coupling. The transmission spectra analysis reveals that the transmission through fluorine has also increased due to the opening of a new coupling path after deprotonation.
Keywords:DFT  diradical  magnetic exchange coupling constant  transmission
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