Enhanced 5f-δ bonding in [U(C7H7)2]−: C K-edge XAS, magnetism, and ab initio calculations-Reference-Cited by-同舟云学术

Enhanced 5f-δ bonding in [U(C7H7)2]−: C K-edge XAS, magnetism, and ab initio calculations

Published:2021 Issue:75 Volume:57 Page:9562-9565
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Qiao Yusen¹,Ganguly Gaurab²^ORCID,Booth Corwin H.¹,Branson Jacob A.¹³^ORCID,Ditter Alexander S.¹,Lussier Daniel J.¹³,Moreau Liane M.¹,Russo Dominic R.¹³,Sergentu Dumitru-Claudiu²^ORCID,Shuh David K.¹^ORCID,Sun Taoxiang¹,Autschbach Jochen²^ORCID,Minasian Stefan G.¹^ORCID

Affiliation:

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

2. Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA

3. Department of Chemistry, University of California, Berkeley, CA 94720, USA

Abstract

5f covalency in [U(C7H7)2]− was probed with carbon K-edge X-ray absorption spectroscopy (XAS) and electronic structure theory. The results are compared with earlier studies which show that the extent of δ-orbital mixing in [U(C7H7)2]1− is larger than reported previously for U(C8H8)2.

Funder

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CC/D1CC03414F

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