期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 15, 期 21, 页码 5348-5354出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.200802590
关键词
density functional calculations; ionic liquids; molecular sieves; NMR spectroscopy; synthesis mechanisms
资金
- National Natural Science Foundation of China [20873140]
- Ministry of Science and Technology of China [2009CB623507]
A combination of state-of-the art in situ one- and two-dimensional NMR spectroscopy and density functional theory (DFT) calculations have been employed for the first time to investigate the role of amines in the synthesis of aluminophosphate molecular sieves in ionic liquids (ILs). In situ rotating-frame nuclear Overhauser effect spectroscopy (ROESY) was used to demonstrate that the hybrid of imidazolium ionic liquids with organic amines, such as morpholine, connected through a hydrogen bond can be formed in the gel during the crystallization of molecular sieves. By combining the characterizations of the final solid products obtained by using XRD analyses, solid-state NMR spectroscopy, thermogravimetric analysis, and DFT calculation results, it was verified that the hybrid between morpholine and the imidazolium cation in the initial preparation stage can act as the structure-directing agent (SDA) for the synthesis of AFI-structured aluminophosphate molecular sieves. Our findings may suggest a synthesis mechanism of molecular sieves in ionic liquids in which the IL-organic amine hybrid is required in the nucleation step, whereas the crystal growth occurs through the occlusion of ionic liquids in the zeolite channels.
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