What does this research mean for the field?

In Fe3+-doped YInO3 pigments, the high-frequency and -field electron paramagnetic resonance spectra are characterized by a spin Hamiltonian with only second-order zero-field splitting terms (D = −1.095 cm–1, E = 0), which arises from spin-orbit coupling between the 6A1′ ground state and the lowest-lying 4E″ excited state. Novelty: ClaimNovelty.INCREMENTAL. Consensus alignment: ConsensusAlignment.NEUTRAL.

What question did this study set out to answer?

This research aims to investigate the impact of Fe3+ doping on the electronic properties of YInO3 using high-frequency electron paramagnetic resonance.

May 29, 2026

High-Frequency and -Field Electron Paramagnetic Resonance Studies of Yellow/Orange/Red Pigments Based on Fe 3+ in Trigonal Bipyramidal Coordination

Key Points

This research aims to investigate the impact of Fe3+ doping on the electronic properties of YInO3 using high-frequency electron paramagnetic resonance.
Applied HFEPR spectroscopy to YIn1–xFexO3 samples with x ranging from 0 to 0.3.
Analyzed spectra using an S = 5/2 spin Hamiltonian focusing on second-order zero-field splitting terms.
Employed ligand-field theory to interpret the zero-field splitting observed in the spectra.
Observed strong HFEPR response in YIn1–xFexO3 samples with variation in spectral appearance based on temperature and iron doping level.
Determined D value of -1.095 cm–1 and E value of 0 from spectral analysis.
Ligand-field theory analysis indicates that the negative D value is due to spin–orbit coupling effects.

Abstract

The material YInO3 is amenable to doping of its trigonal bipyramidal (TBP) In3+ site by a wide range of metal ions. Among these are Mn3+ (S = 2) and Fe3+ (S = 5/2). The former, YIn1–xMnxO3, was previously the subject of an earlier investigation by high-frequency and -field electron paramagnetic resonance (HFEPR) spectroscopy. HFEPR is here applied to YIn1–xFexO3 (0 ≤ x ≤ 0.3). This material exhibits a strong HFEPR response and spectra that can be readily analyzed using an S = 5/2 spin Hamiltonian with only second-order zero-field splitting (zfs) terms: D = −1.095 cm–1, E = 0. The spectral appearance is strongly dependent on both temperature and iron doping level, even for these In-rich samples. The zfs is semiquantitatively analyzed using a ligand-field theory (LFT) model, which suggests that the small-magnitude, negative D value arises from spin–orbit coupling (SOC) of the 6A1′ (in D3h idealized point group symmetry) ground state primarily with the lowest-lying 4E″ excited state.

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Cite This Study

Krzystek et al. (Tue,) studied this question.

synapsesocial.com/papers/6a192c8bfab5b468c44155c7 https://doi.org/https://doi.org/10.1021/acs.inorgchem.6c01324

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