Determining the Quintet Lifetimes in Side-ring Substituted [Fe(terpy)2]2+ Complexes
Andor Vancza,
Marcell Levente Kapta,
Mariann Papp
et al.
Abstract:We previously studied the effect of 4' substitution in iron(II)-bis-terpyridine complexes, showing that the photoexcited high-spin quintet-state is stabilized by electron-donating substituents. In this paper we explore the effects of electron-donating ( X = NH2 , Cl ) and withdrawing ( X = NO2 ) substituents in the 5,5" positions on the stability and lifetime of the quintet-state. We used a simple densitiy-functional theory (DFT) based method that had been proven fairly accurate in the case of 4' substitution … Show more
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