Tecnologie Avanzate (Italy)

Atomistic Origin of Structural, Vibrational, and Electronic Fingerprints in Iminopyridine Iron(II) Dichloride Complexes

Abstract Density functional theory (DFT) investigations were performed on a diverse library of iron(II) dichloride complexes bearing iminopyridine (ImPy) ligands to establish robust structure–property relationships governing their electronic and vibrational behavior. The pronounc...