Probing the local symmetry of Tb3+ in borohydrides using luminescence spectroscopy

Article Article scientifique Article Probing the local symmetry of Tb3+ in borohydrides using luminescence spectroscopy eng 2020 author Christmann Julien 910073 author Mansouri Asma 873777 author Grinderslev Jakob B. author Jensen Torben R. author Hagemann Hans-Rudolf 26435 10.1016/j.jlumin.2020.117065 0022-2313 https://linkinghub.elsevier.com/retrieve/pii/S0022231319318411 Rare-earth borohydrides have recently attracted a strong interest as potential hydrogen storage materials. While the local structure of the BH4􀀀 ion can be probed using vibrational spectroscopy, the local structure of the rareearth ion can be studied using luminescence spectroscopy. This is reported here for Tb(BH4)3 and its solvate with S(CH3)2. The spectra clearly show smaller CF splittings for the unsolvated compound. These experimental data are compared with recent DFTþU calculations of the energy levels and CF splittings for Tb(BH4)3 and show that these calculations significantly overestimate the experimental results. Rare erath borohydride Crystal Field Local Symmetry Dewey 540 Swiss National Science Foundation 200021–169033 CH 38 Département de chimie physique 142 false Journal of Luminescence 221 117065 9882141a-a6be-4240-a43c-e5039a0ff0a7 Article (Published version) Restricted TbBH4Luminescence2020.pdf 1331818 application/pdf 308ca483-00d1-4e3d-bcba-cd5e1975d82e Supplemental data Restricted TbBH4_suppl.docx 618032 application/vnd.openxmlformats-officedocument.wordprocessingml.document restrictedAccess Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

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Probing the local symmetry of Tb3+ in borohydrides using luminescence spectroscopy	Journal of Luminescence			2020	312	1

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Mansouri, Asma