Orthogonal reactivity of Ni(i)Pd(0) dual catalysts for Ullmann C-C cross-coupling theoretical insight

doi:10.1039/c8cc04127j

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	Orthogonal reactivity of Ni(i)Pd(0) dual catalysts for Ullmann C-C cross-coupling theoretical insight
	Zhu, B.; Yan, L. K.; Yao, L. S.; Ren, H.; Li, R. H.; Guan, W.; Su, Z. M.
	2018
发表期刊	Chemical Communications
ISSN	1359-7345
卷号	54 期号:57 页码:7959-7962
摘要	Dual catalysis has become a desirable alternative because of the synergetic effect of two distinct catalysts, but little is known about the mechanism of dual catalysis and its effect on the high reactivity and selectivity. Here, a novel Ullmann C-C cross-coupling of bromobenzene and 4-methoxyphenyltriflate via nickel/palladium dual catalysis has been investigated using density functional theory. The orthogonal reactivity of Ni-I/Pd-0 combination is the precondition and foundation of achieving such a Ullmann cross-coupling reaction. In the present dual catalysis, the Ni-I complex acts as the primary catalyst, while the Pd-0 catalyst plays a decisive role in the cross-selectivity.
关键词	2-state reactivity titanium hydride bond formation activation mechanisms electrophiles perspective molecules energies benzene Chemistry
DOI	10.1039/c8cc04127j
收录类别	SCI
引用统计
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/60759
专题	中国科学院长春光学精密机械与物理研究所
推荐引用方式 GB/T 7714	Zhu, B.,Yan, L. K.,Yao, L. S.,et al. Orthogonal reactivity of Ni(i)Pd(0) dual catalysts for Ullmann C-C cross-coupling theoretical insight[J]. Chemical Communications,2018,54(57):7959-7962.
APA	Zhu, B..,Yan, L. K..,Yao, L. S..,Ren, H..,Li, R. H..,...&Su, Z. M..(2018).Orthogonal reactivity of Ni(i)Pd(0) dual catalysts for Ullmann C-C cross-coupling theoretical insight.Chemical Communications,54(57),7959-7962.
MLA	Zhu, B.,et al."Orthogonal reactivity of Ni(i)Pd(0) dual catalysts for Ullmann C-C cross-coupling theoretical insight".Chemical Communications 54.57(2018):7959-7962.

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