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Updated: Jul 16, 2026

Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
Published on: April 14, 2020
Integrated Computational and Spectroscopic Investigation of Mn5+-Doped LaSr2AlO5 with Intense Green Color and NIR-II
Linyun Zeng1, Tongxi Luo1, Ziyi Hong1
1NMPA Key Laboratory for Research and Evaluation of Drug Metabolism & Guangdong Provincial Key Laboratory of New Drug Screening & Guangdong-Hongkong-Macao Joint Laboratory for New Drug Screening, School of Pharmaceutical Sciences, Southern Medical University, Guangdong, Guangzhou510515, China.
Abstract:
The Mn5+-doped lanthanum strontium aluminate (LaSr2AlO5) was synthesized using conventional solid-state processes. Structural/optical characterizations and DFT calculations were performed to enable a thorough understanding of the Mn doping effect on site occupancy and optical properties. The compounds were found to exhibit a double-band absorption characteristic, i.e., a dominant band in the visible to near-infrared (NIR) range due to Mn5+ intra-atomic transitions, and a sub-band in the UV-visible range resulting in ligand-to-metal charge transfer (LMCT) from O2- to Mn5+. This dual absorption renders the body color to be tuned from pale green to dark green with increasing Mn5+ concentration. Crystal field analysis based on absorption spectra indicates that Mn5+ is located in a tetrahedral site with Dq/B = 6.5. Furthermore, LaSr2AlO5:Mn5+ displays a narrow-band NIR-II emission at 1170 nm, arising from the spin-forbidden 1E → 3A2 transition. These results might reveal the potential of these compounds as nontoxic green pigments and NIR-II phosphors.
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