Location and orientation of the N,N-diisopropylethylamine template molecule in the AlPO4-18 framework by X-ray synchrotron diffraction and molecular modelling |
| |
Authors: | Christiana Zenonos Dewi W Lewis Gopinathan Sankar |
| |
Institution: | Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom |
| |
Abstract: | Phase pure AlPO4 with the AlPO4-18 (AEI) structure was synthesised using N,N-diisopropylethyla-mine as a template. Using a combination of X-ray powder diffraction and computational methods, the location and orientation of the N,N-diisopropylethylamine molecules inside the cages of the AEI structure were determined. Thermogravimetric analysis confirmed that the number of template molecules per unit cell was consistent with the diffraction study. We unequivocally show that only one template molecule is present in each cage of the crystalline AEI material. Our work demon-strates that a combined approach enables accurate structure resolution of such complex materials. |
| |
Keywords: | Microporous material Small pore AlPO-18 Structure Molecular modeling X-ray diffraction Template location |
本文献已被 万方数据 等数据库收录! |
|