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Enhanced 5f-δ bonding in [U(C 7 H 7 ) 2 ] − : C K-edge XAS, magnetism, and ab initio calculations

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https://doi.org/10.1039/d1cc03414f
Abstract

5f covalency in [U(C7H7)2]- was probed with carbon K-edge X-ray absorption spectroscopy (XAS) and electronic structure theory. The results revealed U 5f orbital participation in δ-bonding in both the ground- and core-excited states; additional 5f ϕ-mixing is observed in the core-excited states. Comparisons with U(C8H8)2 show greater δ-covalency for [U(C7H7)2]-.

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