1,2-Diaza-4-phosphaferrocenes: synthesis, structural characterization, 57Fe Mössbauer spectrum analysis, and DFT calculation

Abstract

Two 1,2-diaza-4-phosphaferrocenes [(η⁵-3,5-R₂dp)Fe(η⁵-CpMe₅)] (R = tBu (3), Ph (4)) with a single η⁵ ring containing two nitrogen atoms are prepared. Mössbauer spectroscopic, electrochemical, and density functional theory (DFT) studies have provided a more detailed understanding of the electronic structures and stabilities of these complexes.