First crystal structures of oxo-bridged [CrIIITaV] dinuclear complexes: spectroscopic, magnetic and theoretical investigations of the Cr–O

First crystal structures of oxo-bridged [CrIIITaV] dinuclear complexes: spectroscopic, magnetic and theoretical investigations of the Cr–O–Ta core

Published:2018 Issue:13 Volume:42 Page:10912-10921
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Androš Dubraja Lidija¹²³^ORCID,Jurić Marijana¹²³^ORCID,Lafargue-Dit-Hauret William⁴⁵⁶⁷⁸,Pajić Damir⁹¹⁰¹¹²³^ORCID,Zorko Andrej¹²¹³¹⁴,Ozarowski Andrew¹⁵¹⁶¹⁷¹⁸^ORCID,Rocquefelte Xavier⁴⁵⁶⁷⁸

Affiliation:

1. Ruđer Bošković Institute

2. 10000 Zagreb

3. Croatia

4. Institut des Sciences Chimiques de Rennes

5. UMR CNRS 6226

6. Université de Rennes 1

7. 35042 Rennes

8. France

9. Department of Physics

10. Faculty of Science

11. University of Zagreb

12. Jožef Stefan Institute

13. 1000 Ljubljana

14. Slovenia

15. National High Magnetic Field Laboratory

16. Florida State University

17. Tallahassee

18. USA

Abstract

The vibrational, electronic, structural and magnetic properties of dinuclear compounds with a Cr–O–Ta bridge were validated with DFT calculations.

Funder

National Science Foundation

Hrvatska Zaklada za Znanost

Javna Agencija za Raziskovalno Dejavnost RS

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2018/NJ/C8NJ01493K

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