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Local Coordination and Electronic Structure Ramifications of Guest-Dependent Spin Crossover in a Metal–Organic Framework: A Combined X-ray Absorption and Emission Spectroscopy Study

https://doi.org/10.1021/acs.inorgchem.2c00774

Solovyev, Mikhail ; Kucheryavy, Pavel ; Lockard, Jenny V. ( June 2022 , Inorganic Chemistry)

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High resolution x-ray emission spectrometer for multiple hard x-ray emission lines: Demonstration for Cu Kα and Kβ emissions

https://doi.org/10.1063/5.0048726

Solovyev, Mikhail A. ; Lockard, Jenny V. ; Huang, XianRong ; Heald, Steve M. ; Sun, Cheng-Jun ( July 2021 , Review of Scientific Instruments)
Heterometal incorporation in NH 2 -MIL-125(Ti) and its participation in the photoinduced charge-separated excited state

https://doi.org/10.1039/D0CC05339B

Hanna, Lauren ; Long, Conor L. ; Zhang, Xiaoyi ; Lockard, Jenny V. ( October 2020 , Chemical Communications)
null (Ed.)
Optical and X-ray spectroscopy studies reveal the location and role of Fe 3+ sites incorporated through direct synthesis in NH 2 -MIL-125(Ti). Fe K-edge XAS analysis confirms its metal–oxo cluster node coordination while time-resolved optical and X-ray transient absorption studies disclose its role as an electron trap site, promoting long-lived photo-induced charge separation in the framework. Notably, XTA measurements show sustained electron reduction of the Fe sites into the microsecond time range. Comparison with an Fe-doped MOF generated through post-synthetic modification indicates that only the direct synthesis approach affords efficient Fe participation in the charge separated excited state.
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