Na9Bi5Os3O24: A Diamagnetic Oxide Featuring a Pronouncedly Jahn-Teller-Compressed Octahedral Coordination of Osmium(VI)
DC Element | Wert | Sprache |
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dc.contributor.author | Thakur, Gohil S. | |
dc.contributor.author | Reuter, Hans | |
dc.contributor.author | Ushakov, Alexey V. | |
dc.contributor.author | Gallo, Gianpiero | |
dc.contributor.author | Nuss, Juergen | |
dc.contributor.author | Dinnebier, Robert E. | |
dc.contributor.author | Streltsov, Sergey V. | |
dc.contributor.author | Khomskii, Daniel I. | |
dc.contributor.author | Jansen, Martin | |
dc.date.accessioned | 2021-12-23T16:23:01Z | - |
dc.date.available | 2021-12-23T16:23:01Z | - |
dc.date.issued | 2021 | |
dc.identifier.issn | 14337851 | |
dc.identifier.uri | https://osnascholar.ub.uni-osnabrueck.de/handle/unios/14384 | - |
dc.description.abstract | The Jahn-Teller (JT) theorem constitutes one of the most fundamental concepts in chemistry. In transition-element chemistry, the 3d(4) and 3d(9) configurations in octahedral complexes are particularly illustrative, where a distortion in local geometry is associated with a reduction of the electronic energy. However, there has been a lasting debate about the fact that the octahedra are found to exclusively elongate. In contrast, for Na9Bi5Os3O24, the octahedron around Os6+(5d(2)) is heavily compressed, lifting the degeneracy of the t(2g) set of 5d orbitals such that in the sense of a JT compression a diamagnetic ground state results. This effect is not forced by structural constraints, the structure offers sufficient space for osmium to shift the apical oxygen atoms to a standard distance. The relevance of these findings is far reaching, since they provide new insights in the hierarchy of perturbations defining ground states of open shell electronic systems. Introduction | |
dc.description.sponsorship | Deutsche Forschungsgemeinschaft (DFG)German Research Foundation (DFG) [EXC 2147]; Quantum project [AAAA-A18-118020190095-4]; DFG (German Research Foundation)German Research Foundation (DFG) [277146847-CRC 1238]; Russian Science FoundationRussian Science Foundation (RSF) [RSF-20-62-46047]; Projekt DEAL; G.S.T. thank the Cluster of Excellence ct.qmat (EXC 2147) funded by the Deutsche Forschungsgemeinschaft (DFG) for partial support. A.V.U. is grateful to the Quantum project (AAAA-A18-118020190095-4). The work of D.Kh. was funded by the DFG (German Research Foundation)-Project number 277146847-CRC 1238. DFT+U calculations (S.V.S.) were supported by the Russian Science Foundation via RSF-20-62-46047 project. Open access funding enabled and organized by Projekt DEAL. | |
dc.language.iso | en | |
dc.publisher | WILEY-V C H VERLAG GMBH | |
dc.relation.ispartof | ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | |
dc.subject | BONDS | |
dc.subject | Chemistry | |
dc.subject | Chemistry, Multidisciplinary | |
dc.subject | COMPLEXES | |
dc.subject | ENERGY | |
dc.subject | hydrothermal synthesis | |
dc.subject | Jahn-Teller compression | |
dc.subject | multinary osmate | |
dc.subject | spin-orbit coupling | |
dc.subject | TRANSITION | |
dc.title | Na9Bi5Os3O24: A Diamagnetic Oxide Featuring a Pronouncedly Jahn-Teller-Compressed Octahedral Coordination of Osmium(VI) | |
dc.type | journal article | |
dc.identifier.doi | 10.1002/anie.202103295 | |
dc.identifier.isi | ISI:000662131500001 | |
dc.description.volume | 60 | |
dc.description.issue | 30 | |
dc.description.startpage | 16500 | |
dc.description.endpage | 16505 | |
dc.contributor.orcid | 0000-0002-0679-0184 | |
dc.contributor.orcid | 0000-0002-2823-1754 | |
dc.contributor.orcid | 0000-0002-1362-2357 | |
dc.contributor.orcid | 0000-0003-2778-2113 | |
dc.contributor.orcid | 0000-0002-1912-7437 | |
dc.contributor.researcherid | G-2711-2010 | |
dc.contributor.researcherid | A-6674-2012 | |
dc.contributor.researcherid | P-4500-2016 | |
dc.contributor.researcherid | B-5642-2015 | |
dc.contributor.researcherid | K-1684-2013 | |
dc.identifier.eissn | 15213773 | |
dc.publisher.place | POSTFACH 101161, 69451 WEINHEIM, GERMANY | |
dcterms.isPartOf.abbreviation | Angew. Chem.-Int. Edit. | |
dcterms.oaStatus | Green Submitted, hybrid, Green Published | |
crisitem.author.dept | Institut für Chemie neuer Materialien | - |
crisitem.author.deptid | institute11 | - |
crisitem.author.parentorg | FB 05 - Biologie/Chemie | - |
crisitem.author.grandparentorg | Universität Osnabrück | - |
crisitem.author.netid | ReHa636 | - |
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geprüft am 07.06.2024