Catalyst Design for Hydrogenation of Amide at Low Temperatures and Pressures Using DFT Calculations

• 作 者: Peijun Hu
• 机 构: School of Chemistry and Chemical Engineering,The Queen's University of Belfast,Belfast,BT9 5AG,UK
• 出 处: 第十六届全国催化学术会议
• 发表日期: 2012年期

　　It is known that to heterogeneously hydrogenate amides to amines is very difficult; high pressures and temperatures are needed.DFT calculations were carried out to investigate the mechanism of amide hydrogenation.