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

被引：6

作者：

Lefevre, Julia ^{[1
,2
]}

Deacon, Glen B. ^{[3
]}

Junk, Peter C. ^{[4
]}

Maron, Laurent ^{[1
,2
]}

机构：

[1] Univ Toulouse, F-31077 Toulouse, France

[2] UPS, CNRS, INSA, LPCNO,UMR 5215, F-31077 Toulouse, France

[3] Monash Univ, Sch Chem, Clayton, Vic 3800, Australia

[4] James Cook Univ, Coll Sci Technol & Engn, Townsville, Qld 4811, Australia

来源：

CHEMICAL COMMUNICATIONS | 2015年 / 51卷 / 82期

基金：

澳大利亚研究理事会;

关键词：

TRANSITION-METAL BONDS; ARYLOXO-LANTHANOIDS; CRYSTAL-STRUCTURE; COMPLEX; EU; LN;

D O I：

10.1039/c5cc05439g

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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 Yb-I-Hg-I, intermediate valence complex, (C6F5)Yb-Hg(C6F5). The subsequent reactivity of the divalent ytterbium complex with pyrazole was also computationally investigated, indicating that r-bond metathesis occurs at divalent ytterbium.

引用

页码：15173 / 15175

页数：3

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