Electronic interaction between lithium ion and organic solvent studied by far-ultraviolet spectroscopy

The electronic interaction between lithium ions and organic solvents was investigated using far-ultraviolet (FUV) spectroscopy. Attenuated total reflectance (ATR)-FUV spectroscopy revealed distinct spectral shifts upon lithium ion solvation, indicating changes in electronic states and charge transfer interactions. Spectral decomposition using multivariate analysis identified an electronic coordination number. Quantum chemical calculations confirmed that the observed spectral shifts originate from the destabilization of excited molecular orbitals. These findings highlight the capability of ATR-FUV spectroscopy combined with computational analysis as a powerful approach to probing solvation structures and electronic interactions, providing insights relevant to the design of advanced electrolyte systems for energy storage applications.