期刊
APPLIED ORGANOMETALLIC CHEMISTRY
卷 33, 期 5, 页码 -出版社
WILEY
DOI: 10.1002/aoc.4891
关键词
DFT; halloysite; heterogeneous catalyst; hydrogenation; Pd
资金
- Iran Polymer and Petrochemical Institute
- INSF [97009384]
Taking advantage of computational chemistry, the best diamine for the synthesis of a multi-dentate ligand from the reaction with 3-(trimethoxysilyl) propylisocyanate (TEPI) was selected. Actually, predictive Density Functional Theory (DFT) calculations provided the right diamino chain, i.e. ethylenediamine, capable to sequester a palladium atom, together with the relatively polar solvent toluene, and then undergo the experiments as a selective catalytic agent. The ligand was then prepared and applied for the decoration of the halloysite (Hal) outer surface to furnish an efficient support for the immobilization of Pd nanoparticles. The resulting catalyst exhibited high catalytic activity for hydrogenation of nitroarenes. Moreover, it showed high selectivity towards nitro functional group. The study of the catalyst recyclability confirmed that the catalyst could be recycled for several reaction runs with only slight loss of the catalytic activity and Pd leaching. Hot filtration test also proved the heterogeneous nature of the catalysis.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据