Strengths of covalent bonds in LnO<sub>2</sub> determined from O K-edge XANES spectra using a Hubbard model-Reference-Cited by-同舟云学术

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Strengths of covalent bonds in LnO₂ determined from O K-edge XANES spectra using a Hubbard model

Published:2023 Issue:44 Volume:14 Page:12784-12795
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Lukens Wayne W.¹^ORCID,Minasian Stefan G.¹^ORCID,Booth Corwin H.¹^ORCID

Affiliation:

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

Abstract

A Hubbard model allows the covalent contribution to bond strength to be determined spectroscopically from O K-edge X-ray absorption fine structure spectra.

Funder

Basic Energy Sciences

Lawrence Berkeley National Laboratory

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/SC/D3SC03304J

Reference93 articles.

1. Spectrum analysis of U3+:LaCl3

2. Do the ``Ligand Field'' Parameters in Lanthanides Represent Weak Covalent Bonding?

3. Influence of Covalency upon Rare-Earth Ligand Field Splittings

4. Ab Initio Crystal Field for Lanthanides

5. Crystal Field in Rare‐Earth Complexes: From Electrostatics to Bonding

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1. Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency;Journal of the American Chemical Society;2024-04-22

2. 4f-Orbital mixing increases the magnetic susceptibility of Cp′₃Eu;Chemical Science;2024

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