Theoretical studies on the reductive elimination reaction mechanism from neutral palladium(IV) sulfinate complexes
Theoretical studies on the reductive elimination reaction mechanism from neutral palladium(IV) sulfinate complexes
复制标题
中性亚磺酸钯(IV)络合物还原消除反应机理的理论研究
DOI：
10.1002/poc.3192
复制
发表时间：
2013-11
影响因子：
1.8
通讯作者：
Fang, Wenjun
中科院分区：
文献类型：
--
作者：
Xie, Hujun;Lin, Furong;Lei, Qunfang;Fang, Wenjun
Detailed reaction mechanisms of reductive elimination from neutral palladium(IV) sulfinate complex have been investigated with the aid of density functional theory calculations. The calculation results reveal that the neutral palladium(IV) sulfinate complexes have four possible reductive elimination pathways via the C–S, C–C, C–Cl, and desulfitative C–C bond formation to give different products, and the formation of the C–S bond‐containing product is kinetically more favorable over the formation of other products. Present calculations provide new insights into the organopalladium(IV) chemistry and C–S bond activation. Copyright © 2013 John Wiley Sons, Ltd.
登录
查看更多内容
影响因子：
15
作者：
Driver, MS;Hartwig, JF
通讯作者：
Hartwig, JF
影响因子：
--
作者：
Xiaodan Zhao;V. Dong
通讯作者：
Xiaodan Zhao;V. Dong
影响因子：
15
作者：
Hull, Kami L.;Anani, Waseem Q.;Sanford, Melanie S.
通讯作者：
Sanford, Melanie S.
影响因子：
4.4
作者：
BECKE, AD
通讯作者：
BECKE, AD
影响因子：
15
作者：
R. Widenhoefer;A. Zhong;S. Buchwald
通讯作者：
R. Widenhoefer;A. Zhong;S. Buchwald