<i>Ab initio</i>-based determination of lanthanoid–radical exchange as visualised by inelastic neutron scattering-Reference-Cited by-同舟云学术

Ab initio-based determination of lanthanoid–radical exchange as visualised by inelastic neutron scattering

Published:2024 Issue:12 Volume:15 Page:4466-4477
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Dunstan Maja A.¹^ORCID,Giansiracusa Marcus J.¹^ORCID,Calvello Simone¹²^ORCID,Sorace Lorenzo³^ORCID,Krause-Heuer Anwen M.²^ORCID,Soncini Alessandro¹⁴^ORCID,Mole Richard A.²^ORCID,Boskovic Colette¹^ORCID

Affiliation:

1. School of Chemistry, The University of Melbourne, Parkville, VIC 3010, Australia

2. Australian Nuclear Science and Technology Organisation, Locked Bag 2001, Kirrawee DC 2232, Australia

3. INFN Sez. di Firenze, Department of Chemistry, “Ugo Schiff”, Università Degli Studi Firenze, Via Della Lastruccia, 13, 50019 Sesto Fiorentino, Italy

4. Department of Chemical Sciences, University of Padova, Via Marzolo 1, 35131 Padova, Italy

Abstract

Inelastic neutron scattering allows analysis of Er(iii)–semiquinonate exchange, indicating significant mixing and complex exchange-coupled states, in agreement with ab initio modelling.

Funder

Australian Institute of Nuclear Science and Engineering

Australian Government

Australian Research Council

Università degli Studi di Padova

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/SC/D3SC04229D

Reference83 articles.

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