A combined theoretical and experimental approach to determine the right choice of co-ligand to impart spin crossover in Fe(ii) complexes based on 1,3,4-oxadiazole ligands

Abstract

We present the synthesis of two new novel tetradentate ligands based on 1,3,4-oxadiazole, 2-(2-pyridyl)-5-[N,N-bis(2-pyridylmethyl)aminomethyl]-1,3,4-oxadiazole (LTetraPy-ODA) and 2-phenyl-5-[N,N-bis(2-pyridylmethyl)aminomethyl]-1,3,4-oxadiazole (LTetraPh-ODA). The ligands were used to prepare six mononuclear complexes [FeII(LTetraPy-ODA)(NCE)] (C1-C3) and...