Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes.


In this study, we examine a large range of organometallic iron(II) complexes with the aim of computationally identifying the most promising ones in terms of photophysical properties. These complexes combine polypyridine, bis(phosphine), and carbon-bound ligands. Density functional theory has allowed us to establish a comparative Jablonski diagram displaying… (More)
DOI: 10.1021/acs.inorgchem.6b00223