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
2018
发表期刊GREEN CHEMISTRY
ISSN1463-9262
卷号20期号:3页码:671-679
文章类型期刊论文
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.
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
DOI10.1039/c7gc03122j
收录类别SCI
语种英语
WOS记录号WOS:000424276300015
引用统计
被引频次:5[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/29182
专题中科院上海应用物理研究所2011-2018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.
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