Universität zu Köln

Thakur, Gohil S., Reuter, Hans, Ushakov, Alexey V., Gallo, Gianpiero, Nuss, Juergen ORCID: 0000-0002-0679-0184, Dinnebier, Robert E., Streltsov, Sergey V., Khomskii, Daniel I. and Jansen, Martin (2021). Na9Bi5Os3O24: A Diamagnetic Oxide Featuring a Pronouncedly Jahn-Teller-Compressed Octahedral Coordination of Osmium(VI). Angew. Chem.-Int. Edit., 60 (30). S. 16500 - 16506. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3773

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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

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Thakur, Gohil S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Reuter, Hans UNSPECIFIED UNSPECIFIED UNSPECIFIED Ushakov, Alexey V. UNSPECIFIED UNSPECIFIED UNSPECIFIED Gallo, Gianpiero UNSPECIFIED UNSPECIFIED UNSPECIFIED Nuss, Juergen UNSPECIFIED orcid.org/0000-0002-0679-0184 UNSPECIFIED Dinnebier, Robert E. UNSPECIFIED UNSPECIFIED UNSPECIFIED Streltsov, Sergey V. UNSPECIFIED UNSPECIFIED UNSPECIFIED Khomskii, Daniel I. UNSPECIFIED UNSPECIFIED UNSPECIFIED Jansen, Martin UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-594720
DOI:	10.1002/anie.202103295
Journal or Publication Title:	Angew. Chem.-Int. Edit.
Volume:	60
Number:	30
Page Range:	S. 16500 - 16506
Date:	2021
Publisher:	WILEY-V C H VERLAG GMBH
Place of Publication:	WEINHEIM
ISSN:	1521-3773
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language TRANSITION; COMPLEXES; ENERGY; BONDS Multiple languages Chemistry, Multidisciplinary Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/59472