Spectrochim Acta A Mol Biomol Spectrosc
January 2025
X-ray absorption spectroscopy (XAS) is a powerful tool for examining changes of the electronic and molecular structure following light-induced excitation of a molecule. Specifically, this method can be applied to investigate the ground (GS, RuNO) and metastable states (MS1, RuON and MS2, Ruη(NO)) of the nitrosyl ligand (NO), which differ in their coordination mode to the metal. In this work, we report for the first time experimental and theoretical (DFT) Ru L,-edge XA spectra for the octahedral complex trans-[RuNOPyF](ClO) (1, Py = pyridine) in both ground and metastable states.
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