Articles | Volume 35, issue 5
https://doi.org/10.5194/ejm-35-873-2023
https://doi.org/10.5194/ejm-35-873-2023
Research article
 | 
19 Oct 2023
Research article |  | 19 Oct 2023

Vibrational properties of OH groups associated with divalent cations in corundum (α-Al2O3)

Michael C. Jollands, Shiyun Jin, Martial Curti, Maxime Guillaumet, Keevin Béneut, Paola Giura, and Etienne Balan

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Latest update: 11 Mar 2025
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Short summary
The infrared spectrum of hydrous defects in corundum is routinely used in gemology, but the assignment of absorption bands to specific defects remains elusive. Here, we theoretically study selected defects and compare the results with available experimental data. The main results are the assignment of the 3161 cm−1 series to OH groups associated with Fe2+ ions and the interpretation of bands below 2700 cm−1 in corundum containing divalent cations in terms of overtones of OH bending modes.
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