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.
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页码：15173 / 15175
页数：3
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