苯胺
金属间化合物
催化作用
选择性
硝基
化学
吸附
无机化学
密度泛函理论
物理化学
有机化学
计算化学
烷基
合金
作者
Lu‐Jie Zuo,Kun‐Ze Xue,Shilong Xu,Yuan Kong,Hai‐Wei Liang
出处
期刊:Chemcatchem
[Wiley]
日期:2023-08-22
卷期号:15 (19)
被引量:3
标识
DOI:10.1002/cctc.202300738
摘要
Abstract The selective reduction of functionalized nitroarenes to aniline is a promising strategy to produce industrially vital aniline intermediates, while achieving high selectivity is challenging. Here, we reported the synthesis of structurally ordered Rh 3 Sn 2 intermetallic catalysts that exhibited a high selectivity of 95.1 % in the hydrogenation of 4‐nitrostyrene to 4‐aminostyrene. Density functional theory calculation reveals that the adsorption of nitrostyrene through the nitro group on Rh 3 Sn 2 (110) surface are great improved with the addition of the Sn atom. In addition, a significant electronic effect is formed between Rh and Sn by charge transfer that makes the Rh 3 Sn 2 intermetallic compound more favorable for the hydrogenation of nitro group.
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