Iron(III) Complexes with N-Phenylpyrazole-Based Ligands

The use of iron as a replacement for noble metals in photochemical and photophysical applications is challenging due to the typically fast deactivation short-lived catalytically active states. Recent success cyclometalated iron(III) complex utilizing bis-tridentate ligand motif inspired phenyl-1H-pyrazole bidentate ligand. Five complexes using tris(1-phenylpyrazolato-N,C2)iron(III) scaffold are presented. In addition parent complex, four derivatives with functionalization meta-position phenyl ring thoroughly investigated by single crystal diffractometry, UV-Vis-spectroscopy, cyclic voltammetry. Advanced X-ray spectroscopy form absorption emission allows unique insights into electronic structure well DFT calculations. design leads overlapping MLCT LMCT bands, emissive behavior suppressed low-lying MC