Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) 3]+/0.
Mario WinklerMarc SchnierleFelix EhrlichKim-Isabelle MehnertDavid HungerAlena M ShevelevaLukas BurkhardtMatthias BauerFloriana TunaMark R RingenbergJoris van SlagerenPublished in: Inorganic chemistry (2021)
Here we explore the electronic structure of the diiron complex [(dppf)Fe(CO)3]0/+ [10/+; dppf = 1,1'-bis(diphenylphosphino)ferrocene] in two oxidation states by an advanced multitechnique experimental approach. A combination of magnetic circular dichroism, X-ray absorption and emission, high-frequency electron paramagnetic resonance (EPR), and Mössbauer spectroscopies is used to establish that oxidation of 10 occurs on the carbonyl iron ion, resulting in a low-spin iron(I) ion. It is shown that an unequivocal result is obtained by combining several methods. Compound 1+ displays slow spin dynamics, which is used here to study its geometric structure by means of pulsed EPR methods. Surprisingly, these data show an association of the tetrakis[3,5-bis(trifluoromethylphenyl)]borate counterion with 1+.
Keyphrases
- high frequency
- transcranial magnetic stimulation
- room temperature
- ionic liquid
- visible light
- density functional theory
- hydrogen peroxide
- single molecule
- electron transfer
- iron deficiency
- metal organic framework
- electronic health record
- big data
- magnetic resonance imaging
- molecularly imprinted
- molecular dynamics
- transition metal
- magnetic resonance
- artificial intelligence
- dual energy
- tandem mass spectrometry