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Figure 2
Oxygen K-edge XAS for MIL-53(Al) MOF, in vacuum at 30°C, compared with TD-DFT calculated XAS energies for the benzene­dicarboxyl­ate anion ligand, with the unoccupied orbitals [\pi_{\rm{u}}^{*}], [\pi_{\rm{g}}^{*}] and [\pi_{\rm{CO}}^{*}] assigned to the pre-edge features.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 31| Part 2| March 2024| Pages 217-221
https://doi.org/10.1107/S1600577524000584
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