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arXiv · 2512.21836

Spectroscopic Characterization of Metallocene Single Crystals Grown by Physical Vapor Transport Method

Ian B. Logue·Sandaruka Jayasooriya Arachchilage·Lance M. Griswold·Moses B. Gaither-Ganim·Lincoln W. Weber·Robyn Cook·Stephen Hofer·Praveena Satkunam·Dipanjan Mazumdar·Poopalasingam Sivakumar·Bumsu Lee
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Abstract

High-quality metallocene single crystals with a low density of impurities and high homogeneity were prepared using the physical vapor transport method. These crystals were then characterized using various spectroscopic tools and X-ray diffraction. Laser-induced breakdown spectroscopy confirmed the presence of metal ions in each freshly grown sample despite all these crystals undergoing physical deformation with different lifetimes. X-ray diffraction analysis confirmed that all our metallocene single crystals retained a monoclinic structure at room temperature. The vibrational properties of our metallocene crystals were examined using Raman and Fourier-transform infrared spectroscopy. The inter- and intra-ring vibrational modes, along with additional modes associated with the crystalline form, were identified as inherent vibrational properties of our metallocene single crystals. Given the increasingly important role of metallocene in organic solar cells, organic light-emitting displays and molecular quantum systems, this research will enhance our understanding of the intrinsic physical properties of cleaner, more crystalline metallocene single crystals.

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Ian B. Logue, Sandaruka Jayasooriya Arachchilage, Lance M. Griswold, Moses B. Gaither-Ganim, Lincoln W. Weber, Robyn Cook, Stephen Hofer, Praveena Satkunam, Dipanjan Mazumdar, Poopalasingam Sivakumar, Bumsu Lee. 2025-12-26. Spectroscopic Characterization of Metallocene Single Crystals Grown by Physical Vapor Transport Method. https://doi.org/10.1016/j.jorganchem.2026.124138

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