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Enhanced 5f-δ bonding in [U(CH)]: C K-edge XAS, magnetism, and calculations. | LitMetric
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Enhanced 5f-δ bonding in [U(CH)]: C K-edge XAS, magnetism, and calculations.

Yusen Qiao Gaurab Ganguly Corwin H Booth Jacob A Branson Alexander S Ditter Daniel J Lussier Liane M Moreau Dominic R Russo Dumitru-Claudiu Sergentu David K Shuh Taoxiang Sun Jochen Autschbach Stefan G Minasian

Chem Commun (Camb)

Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA.

Published: September 2021

5f covalency in [U(CH)] 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(CH) show greater δ-covalency for [U(CH)].

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 Source
http://dx.doi.org/10.1039/d1cc03414fDOI Listing

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