Femtosecond Infrared Spectroscopy Resolving the Multiplicity of High-Spin Crossover States in Transition Metal Iron Complexes.

ABSTRACT: Tuning the photophysical properties of iron-based transition-metal complexes is crucial for their employment as photosensitizers in solar energy conversion. For the optimization of these new complexes, a detailed understanding of the excited-state deactivation paths is necessary. Here, we report femtosecond transient mid-IR spectroscopy data on a recently developed octahedral ligand-field enhancing [Fe(dqp)₂]²⁺ (C1) complex with dqp = 2,6-diquinolylpyridine and prototypical [Fe(bpy)₃]²⁺ (C0). By combining mid-IR spectroscopy with quantum chemical DFT calculations, we propose a method for disentangling the ⁵Q₁ and ³T₁ multiplicities of the long-lived metal-centered (MC) states, applicable t

SUBMITTER: Zahn C 

PROVIDER: S-EPMC10995999 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature