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Updated: Jan 26, 2026
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Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds
Published on: October 18, 2018
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Isotopic and defect analysis of enriched molybdenum oxide using EPR spectroscopy and DFT simulation
Razieh Hosseini1, Javad Karimi-Sabet2, Mehdi Janbazi3
1Department of Chemical Engineering, University of Kashan, Kashan, Iran.
Scientific Reports
|January 24, 2026
Summary
Molybdenum isotopes (96Mo, 97Mo, 98Mo) are crucial for medicine and research. X-band Electron Paramagnetic Resonance (EPR) spectroscopy, combined with simulations, shows potential for analyzing these isotopes in molybdenum trioxide (α-MoO3).
Area of Science:
- Materials Science
- Nuclear Physics
- Spectroscopy
Background:
- Molybdenum isotopes (96Mo, 97Mo, 98Mo) are essential precursors for the medical isotope 99mTc, impacting healthcare, materials science, and nuclear research.
- Electromagnetic separation enriches these isotopes, but sensitive analysis methods are needed to detect subtle electronic structure changes due to isotopic mass variations.
Purpose of the Study:
- To investigate X-band Electron Paramagnetic Resonance (EPR) spectroscopy as a sensitive method for probing molybdenum isotope effects.
- To explore the potential of high-frequency EPR for isotopic analysis of molybdenum in α-MoO3.
Main Methods:
- Electromagnetic enrichment and chemical refining of 96Mo, 97Mo, and 98Mo isotopes.
- Characterization using X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Inductively Coupled Plasma (ICP), ICP-Mass Spectrometry (ICP-MS), Photoluminescence (PL), and EPR spectroscopy.
- Ab initio calculations for electronic, optical, and EPR properties, validated against experimental data.
Main Results:
- Experimental X-band EPR measurements were performed on refined molybdenum isotope samples.
- Ab initio calculations identified native defects in the α-MoO3 crystal lattice.
- Simulated high-frequency EPR spectra (W- and J-band) revealed potential spectroscopic signatures for different Mo isotopes.
Conclusions:
- X-band EPR spectroscopy is a suitable method for probing isotopic effects in molybdenum.
- High-frequency EPR, supported by DFT/MD simulations, shows promise as a tool for molybdenum isotopic analysis in α-MoO3.
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