6533b855fe1ef96bd12afe33

RESEARCH PRODUCT

Excited-State Kinetics of an Air-Stable Cyclometalated Iron(II) Complex.

Ayla PäpckeKatja HeinzeMatthias BauerStefan LochbrunnerJakob SteubeJohannes MollChristoph WölperLukas BurkhardtPeter ZimmerRoland Schoch

subject

010405 organic chemistryChemistryLigandOrganic ChemistryChemieGeneral ChemistryElectronic structureChromophore010402 general chemistryElectrochemistryPhotochemistry01 natural sciencesCatalysis0104 chemical scienceschemistry.chemical_compoundBipyridineExcited stateTriplet stateTerpyridine

description

The complex class [Fe(N^N^C)(N^N^N)]+ with an Earth-abundant metal ion has been repeatedly suggested as a chromophore and potential photosensitizer on the basis of quantum chemical calculations. Synthesis and photophysical properties of the parent complex [Fe(pbpy)(tpy)]+ (Hpbpy=6-phenyl-2,2'-bipyridine and tpy=2,2':6',2''-terpyridine) of this new chromophore class are now reported. Ground-state characterization by X-ray diffraction, electrochemistry, spectroelectrochemistry, UV/Vis, and X-ray spectroscopy in combination with DFT calculations proves the high impact of the cyclometalating ligand on the electronic structure. The photophysical properties are significantly improved compared to the prototypical [Fe(tpy)2 ]2+ complex. In particular, the metal-to-ligand absorption extends into the near-IR and the 3 MLCT lifetime increases by 5.5, whereas the metal-centered excited triplet state is very short-lived.

10.1002/chem.201902488https://pubmed.ncbi.nlm.nih.gov/31152678