The synergic effects at the molecular level in CoS2 for selective hydrogenation of nitroarenes

doi:10.1039/c7gc03122j

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	The synergic effects at the molecular level in CoS2 for selective hydrogenation of nitroarenes
	Wei, ZZ ; Mao, SJ ; Sun, FF ; Wang, J ; Mei, BB ; Chen, YQ ; Li, HR ; Wang, Y
刊名	GREEN CHEMISTRY
	2018
卷号	20 期号:3 页码:671-679
关键词	Total-energy Calculations Aromatic Nitro-compounds One-pot Synthesis Wave Basis-set Chemoselective Hydrogenation Functionalized Nitroarenes Gold Catalysts Substituted Nitroaromatics Nanocomposite Catalyst Reduction Reactions
ISSN号	1463-9262
DOI	10.1039/c7gc03122j
文献子类	期刊论文
英文摘要	Catalytic functionalized aniline formation from nitroarenes is a core technology in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. However, control of chemoselectivity still poses particular challenges with aromatic nitro substrates bearing one or more reducible groups. Here, we report the low-cost synthesis of a porous carbon supported CoS2 catalyst (CoS2/PC) and successfully apply the catalyst in the chemoselective hydrogenation of nitroarenes. For hydrogenation of 3-nitrostyrene, the catalyst furnishes a superior selectivity of 99% towards 3-aminostyrene at a conversion of >99%. Density functional theory calculations together with X-ray absorption fine structure spectroscopy reveal that terdentate and tetrahedral coordinated Co atoms in CoS2 (labeled as Co-3 and Co-4) are possible active sites. The face to face located Co-3 and Co-4 sites make the reaction rather local, and Co-3 and Co-4 sites are occupied by substrates and H-2, respectively, which is beneficial to the superior activity and selectivity. The Co-3-Co-4 "synergic active site pair" in CoS2 makes the investigation of the synergic effects at the molecular level a reality on heterogeneous catalysts.
语种	英语
WOS记录号	WOS:000424276300015
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/29182]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	1.Wei, ZZ 2.Mao, SJ 3.Sun, FF 4.Wang, J 5.Mei, BB 6.Chen, YQ 7.Li, HR 8.Wang, Y
推荐引用方式 GB/T 7714	Wei, ZZ,Mao, SJ,Sun, FF,et al. The synergic effects at the molecular level in CoS2 for selective hydrogenation of nitroarenes[J]. GREEN CHEMISTRY,2018,20(3):671-679.
APA	Wei, ZZ.,Mao, SJ.,Sun, FF.,Wang, J.,Mei, BB.,...&Wang, Y.(2018).The synergic effects at the molecular level in CoS2 for selective hydrogenation of nitroarenes.GREEN CHEMISTRY,20(3),671-679.
MLA	Wei, ZZ,et al."The synergic effects at the molecular level in CoS2 for selective hydrogenation of nitroarenes".GREEN CHEMISTRY 20.3(2018):671-679.