Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study

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• 作者：Carlo Lamberti ; Silvia Bordiga ; Adriano Zecchina ; Gilberto Artioli ; Gianluigi Marra ; and Guido Spanò
• 刊名：Journal of the American Chemical Society
• 出版年：2001
• 出版时间：March 14, 2001
• 年：2001
• 卷：123
• 期：10
• 页码：2204 - 2212
• 全文大小：101K
• 年卷期：v.123,no.10(March 14, 2001)
• ISSN：1520-5126

文摘

The first direct evidence that Ti atoms are not equally distributed in the 12 crystallographicallyindependent T sites of the MFI framework is presented on the basis of neutron diffraction data collected at theHRPD instrument of the ISIS pulsed neutron source. We found strong evidence indicating that T6, T7, andT11 are the most populated sites and weak evidence that Ti may be hosted in T10. Ti occupancy can beexcluded for sites T1, T2, T4, T5, T9, and T12. The occupancy of the remaining sites is doubtful. Sincedefective silicalite has been shown to exhibit the same preferential sites (T6, T7, T11, and T10) for Si vacancies,it may be suggested that the incorporation mechanism of the Ti atoms in the MFI framework occurs via theinsertion of titanium in the defective sites. This hypothesis implies that titanium has a mineralizing effect onthe MFI framework, and it is supported by independent spectroscopic data on both TS-1 and defective silicalite.The results are discussed in comparison with the known substitution mechanisms in the T-sites of MFI-typestructures.