Electronic structure studies reveal 4f/5d mixing and its effect on bonding characteristics in Ce-imido and -oxo complexes-Reference-Cited by-同舟云学术

Electronic structure studies reveal 4f/5d mixing and its effect on bonding characteristics in Ce-imido and -oxo complexes

Published:2022 Issue:6 Volume:13 Page:1759-1773
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Moreau Liane M.¹^ORCID,Lapsheva Ekaterina²,Amaro-Estrada Jorge I.³^ORCID,Gau Michael R.²^ORCID,Carroll Patrick J.²,Manor Brian C.²,Qiao Yusen¹²^ORCID,Yang Qiaomu²^ORCID,Lukens Wayne W.¹^ORCID,Sokaras Dimosthenis⁴,Schelter Eric J.²^ORCID,Maron Laurent³^ORCID,Booth Corwin H.¹^ORCID

Affiliation:

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

2. Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104, USA

3. LPCNO, UMR 5215, CNRS, INSA, UPS, Université de Toulouse, 31000 Toulouse, France

4. Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA

Abstract

Ce(iv) complexes with multiple bonds display similar f0 fractions, but different f/d hybridization, 5d-orbital energies, and TIP levels.

Funder

U.S. Department of Energy

National Science Foundation

University of Pennsylvania

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/SC/D1SC06623D

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