The insertion reactions of the germylenoid H2GeLiF with CH3X (X = F, Cl, Br)

被引：17

作者：

Li, Wen-Zuo ^{[1
]}

Yan, Bing-Fei ^{[1
]}

Li, Qing-Zhong ^{[1
]}

Cheng, Jian-Bo ^{[1
]}

机构：

[1] Yantai Univ, Coll Chem & Chem Engn, Lab Theoret & Computat Chem, Yantai 264005, Peoples R China

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 2013年 / 724卷

关键词：

H2GeLiF; CH3X; (X; F; Cl; Br); Insertion reaction; B3LYP; QCISD; R-H R; OH; ISOMERIZATION; NH2; CARBENOIDS; GEOMETRIES; DFT;

D O I：

10.1016/j.jorganchem.2012.11.012

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The insertion reactions of the germylenoid H2GeLiF with CH3X (X = F, Cl, Br) were studied for the first time by using the DFT B3LYP and QCISD methods. The theoretical calculations predicted that along the potential energy surface, there are one precursor complex, one transition state, and one intermediate which connect the reactants and the products. The elucidations of the mechanism of these insertion reactions provide a new reaction mode of germanium-carbon bond formation. (C) 2012 Elsevier B. V. All rights reserved.

引用

页码：163 / 166

页数：4

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