A new record excited state ³MLCT lifetime for metalorganic iron(<scp>ii</scp>) complexes

Abstract

Herein we report the synthesis and time-resolved spectroscopic characterization of a homoleptic Fe(ii) complex exhibiting a record (3)MLCT lifetime of 26 ps promoted by benzimidazolylidene-based ligands. Time dependent density functional molecular modeling of the triplet excited state manifold clearly reveals that, at equilibrium geometries, the lowest (3)MC state lies higher in energy than the lowest (3)MLCT one. This unprecedented energetic reversal in a series of iron complexes, with the stabilization of the charge-transfer state, opens up new perspectives towards iron-made excitonic and photonic devices, hampering the deactivation of the excitation via metal centered channels.