title: Molecular conformations of protonated dipropylamine in AlPO4-11, AlPO4-31, SAPO-34, and AlPO4-41 molecular sieves.
abstract: The host-guest interactions in AlPO4-11, AlPO4-31, SAPO-34, and AlPO4-41 molecular sieves prepared using the same organic structure-directing agent, i.e., dipropylamine, are investigated by a combination of Raman, 13C and 1H MAS NMR, and computer modeling studies. It was found that the organic molecules trapped within the pores of these four AlPO4-based materials exist as their protonated form and adopt distinct conformations in order to fit well with the pore structure of each host. In particular, the presence of two different types of conformations of protonated dipropylamine in the circular 12-ring channels of AlPO4-31 has been ascertained.
authors.affiliation: Division of Applied Chemistry and Biotechnology, Hanbat National University, Taejon 305-791, Korea.
authors.forename: Bada
authors.initials: B
authors.lastname: Han
authors.forename: Chae-Ho
authors.initials: CH
authors.lastname: Shin
authors.forename: Paul A
authors.initials: PA
authors.lastname: Cox
authors.forename: Suk Bong
authors.initials: SB
authors.lastname: Hong
mesh_terms: D017607:Aluminum Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D002850:Chromatography, Gel; D003198:Computer Simulation; D007202:Indicators and Reagents; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D009010:Monte Carlo Method; D010710:Phosphates / Q000138:chemical synthesis / Q000737:chemistry*; D011437:Propylamines / Q000737:chemistry*; D017655:Silicon Compounds / Q000737:chemistry*; D013059:Spectrum Analysis, Raman; D014961:X-Ray Diffraction
chemical_list: D017607:Aluminum Compounds; D007202:Indicators and Reagents; D010710:Phosphates; D011437:Propylamines; D017655:Silicon Compounds; C012714:aluminum phosphate