dd excitations in CPO-27-Ni metal-organic framework: comparison between resonant inelastic X-ray scattering and UV-vis spectroscopy
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Updated: May 11, 2026

A Technical Guide for Performing Spectroscopic Measurements on Metal-Organic Frameworks
Published on: April 28, 2023
Erik Gallo1, Carlo Lamberti, Pieter Glatzel
1European Synchrotron Radiation Facility (ESRF), 6 rue Jules Horowitz, BP 220, 38043 Grenoble Cedex 9, France.
Abstract:
We identify the dd excitations in the metal-organic framework CPO-27-Ni by coupling resonant inelastic X-ray scattering (RIXS) and UV-vis spectroscopy, and we show that the element selectivity of RIXS is crucial to observing the full dd multiplet structure, which is not visible in UV-vis. The combination of calculations using crystal-field multiplet theory and density functional theory can reproduce the RIXS spectral features, crucially improving interpretation of the experimental data. We obtain the crystal-field splitting and magnitude of the electron-electron interactions and correct previously reported values. RIXS instruments at synchrotron radiation sources are accessible to all researchers, and the technique can be applied to a broad range of systems.
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