Distinguishing between High- and Low-Spin States for Divalent Mn in Mn-Based Prussian Blue Analogue by High-Resolution Soft X-ray Emission Spectroscopy
作者： Daisuke Asakura , Yusuke Nanba , Masashi Okubo , Yoshifumi Mizuno , Hideharu Niwa
DOI: 10.1021/JZ501738M
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摘要: We combine Mn L2,3-edge X-ray absorption, high resolution 2p-3d-2p resonant emission, and configuration-interaction full-multiplet (CIFM) calculation to analyze the electronic structure of Mn-based Prussian blue analogue. clarified 3d energy diagram for Mn(2+) low-spin state separately from that high-spin by tuning excitation emission measurement. The obtained spectra are generally reproduced CIFM low spin having a stronger ligand-to-metal charge-transfer effect between t2g CN π orbitals than state. d-d-excitation peak nearest elastic scattering was ascribed LS calculation, indicating with hole on orbital locates near Fermi level.
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