在非氧化条件下,在甲合过程中促进了MgO上的乙化物形成
Seraphine B X Y Zhang1, Quentin Pessemesse2, Zachariah J Berkson1
1Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 1-5, 8093, Zürich, Switzerland.
Angewandte Chemie (International ed. in English)
|July 24, 2023
概括
用添加的氧化 (Li/MgO) 有效催化了甲的非氧化合. 通过乙化物促进C-C键的形成,增强甲转化中的C2选择性.
科学领域:
- 催化剂是一种催化剂.
- 材料科学 材料科学 材料科学
- 化学工程是化学工程的重要组成部分.
背景情况:
- 添加氧化 (Li/MgO) 是甲氧化合 (OCM) 的关键催化剂.
- 对于在OCM反应中实现高C2选择性至关重要.
研究的目的:
- 研究Li/MgO作为甲非氧化合 (NOCM) 的催化剂.
- 阐明在促进C-C键形成和C2选择性方面的作用.
主要方法:
- 对NOCM进行/MgO的催化试验.
- 固态13C核磁共振光谱分析焦炭形成和乙化物种.
- 密度函数理论 (DFT) 超动态模拟来研究碳流动性.
主要成果:
- /MgO证明了作为甲非氧化合的催化剂的有效性.
- 的存在有利于乙化 (MgC2) 的形成,与纯MgO上的焦炭形成形成形成鲜明对比.
- DFT模拟显示,在高温下,C2单位在MgC2和Li2C2中容易扩散.
结论:
- 在MgO中的兴奋剂增强了甲合反应中的C2选择性.
- 和Mg乙化物的形成被确定为改善C2选择性背后的机制.
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