On the reaction mechanism of redox transmetallation of elemental Yb with Hg(C6F5)2 and subsequent reactivity of Yb(C6F5)2 with pyrazole: a DFT investigation

Author:

Lefèvre Julia12345,Deacon Glen B.6789,Junk Peter C.101112139,Maron Laurent12345

Affiliation:

1. Université de Toulouse et CNRS INSA

2. UPS

3. CNRS

4. UMR 5215

5. LPCNO

6. School of Chemistry

7. Monash University

8. Clayton Vic 3800

9. Australia

10. College of Science

11. Technology & Engineering

12. James Cook University

13. Townsville

Abstract

DFT investigations of the redox transmetallation reaction of the diorganomercurial (Hg(C6F5)2) with Yb metal, yielding Yb(C6F5)2, allowed us to define a very low energy reaction mechanism via a C6F5Yb–HgC6F5 intermediate.

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

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