Jump to main content
Jump to site search

Issue 21, 2002
Previous Article Next Article

On the nature of iron species in iron substituted aluminophosphates

Author affiliations


The local structure of the iron centres in the as-synthesised and calcined FAPO-5 and FAPO-18 catalysts has been investigated using a combination of techniques, including X-ray absorption spectroscopy (XAS), X-ray diffraction (XRD), thermogravimetric analysis (TGA), Mössbauer spectroscopy and computational modelling. The calcination of the as-synthesised materials has been followed by combined in situ XRD/QuEXAFS measurements, which reveal the different nature of the iron species in the two catalysts. In the as-synthesised FAPO-5 catalyst all the iron centres are present as octahedrally coordinated Fe(III) ions; upon calcination, two water molecules are desorbed when the temperature is raised above 120 °C to yield tetrahedrally coordinated Fe(III) ions in the active catalyst. In contrast, as-synthesised FAPO-18 contains a mixture of tetrahedrally coordinated Fe(II) ions and octahedral Fe(III) centres. Two independent processes occur upon calcination of FAPO-18: the desorption of water from the octahedral Fe(III) ions at ca. 120 °C, and the oxidation of the tetrahedral Fe(II) ions at temperatures above 300 °C; both materials possess tetrahedrally coordinated Fe(III) ions in the calcined state. The three dimensional structure and electronic state of the tetrahedral Fe(III) ions in the activated catalysts has been determined viaab initio quantum mechanical calculations and X-ray absorption spectroscopy.

Back to tab navigation

Publication details

The article was received on 01 Mar 2002, accepted on 12 Jul 2002 and first published on 18 Sep 2002

Article type: Paper
DOI: 10.1039/B202155B
Citation: Phys. Chem. Chem. Phys., 2002,4, 5421-5429
  •   Request permissions

    On the nature of iron species in iron substituted aluminophosphates

    C. Zenonos, G. Sankar, F. Corà, D. W. Lewis, Q. A. Pankhurst, C. R. A. Catlow and J. M. Thomas, Phys. Chem. Chem. Phys., 2002, 4, 5421
    DOI: 10.1039/B202155B

Search articles by author