Ligand K-edge X-ray absorption spectroscopy has emerged as a powerful tool to study bonding and electronic structure. Recent technical and experimental advances, including the use of scanning transmission X-ray microscopy (STXM), have allowed for the measurement of C K-edge XAS. Using these techniques the C K-edge XAS of cerocene, (C8H8)2Ce, was measured and the results correlated with ground state and time-dependent density functional theory (TDDFT). These results are compared to those previously obtained for the actinocenes, (C8H8)2An (An = Th, U), to put the data into context and gain further insight into actinide- versus lanthanide-ligand bonding. Additionally, these results are discussed in relation to the ongoing debate regarding the electronic structure of cerocene.

Investigation of the electronic structure and evaluation of the covalency of cerocene, (C8H8)2Ce, using carbon K-edge X-ray absorption spectroscopy

256th National Meeting (2018)

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