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

Lefévre, Julia, Deacon, Glen B., Junk, Peter C., and Maron, Laurent (2015) 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. Chemical Communications, 51 (82). pp. 15173-15175.

[img]
Preview
PDF (Published Version) - Published Version
Available under License Creative Commons Attribution.

Download (1MB) | Preview
View at Publisher Website: http://dx.doi.org/10.1039/c5cc05439g
 
3
21


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. This involves formation of a metal–metal bonded, formally YbI–HgI, intermediate valence complex, (C6F5)Yb–Hg(C6F5). The subsequent reactivity of the divalent ytterbium complex with pyrazole was also computationally investigated, indicating that σ-bond metathesis occurs at divalent ytterbium.

Item ID: 41126
Item Type: Article (Refereed Research - C1)
Additional Information:

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

ISSN: 1364-548X
Funders: Alexander von Humboldt Foundation, Australian Research Council (ARC)
Projects and Grants: ARC Grant no. DP130100152
Date Deposited: 29 Oct 2015 03:37
FoR Codes: 03 CHEMICAL SCIENCES > 0302 Inorganic Chemistry > 030202 f-Block Chemistry @ 100%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970103 Expanding Knowledge in the Chemical Sciences @ 100%
Downloads: Total: 21
Last 12 Months: 5
More Statistics

Actions (Repository Staff Only)

Item Control Page Item Control Page