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Topics in Catalysis

, Volume 23, Issue 1–4, pp 23–38 | Cite as

Structural Characterization of the Orthorhombic Phase M1 in MoVNbTeO Propane Ammoxidation Catalyst

  • Peter DeSantoJr.
  • Douglas J. ButtreyEmail author
  • Robert K. Grasselli
  • Claus G. Lugmair
  • Anthony F. Volpe
  • Brian H. Toby
  • Thomas Vogt
Article

Abstract

The structure of the orthorhombic phase in the MoVNbTeO propane ammoxidation catalyst system has been characterized and refined using a combination of TEM, synchrotron X-ray powder diffraction (S-XPD), and neutron powder diffraction (NPD). This phase, designated as M1 by Ushikubo et al. [1], crystallizes in the orthorhombic space group Pba2 (No. 32) with a = 21.134(2) Å, b = 26.658(2) Å, and c = 4.0146(3) Å. The formula unit is Mo7.5V1.5NbTeO29. Bond valence sum calculations indicate the presence of d1 metal sites neighbored by d0 metal sites. The d1 sites are occupied by a distribution of Mo5+ and V4+, whereas the d0 sites are occupied by a distribution of Mo6+ and V5+. Out-of-center distortions in d0 octahedra are consistent with the second-order Jahn–Teller effect and lattice effects. We argue that the V5+–O–V4+/Mo5+ moieties adjacent to Te4+ and Mo6+ sites in the [001] terminal plane provide a spatially isolated active site at which the selective ammoxidation of propane occurs.

MoVNbTeO propane ammoxidation acrylonitrile out-of-center distortion site isolation molybdates mixed-metal multifunctionality catalyst Rietveld refinement Magneli phase channel structure 

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Copyright information

© Plenum Publishing Corporation 2003

Authors and Affiliations

  • Peter DeSantoJr.
    • 1
  • Douglas J. Buttrey
    • 1
    Email author
  • Robert K. Grasselli
    • 1
  • Claus G. Lugmair
    • 2
  • Anthony F. Volpe
    • 2
  • Brian H. Toby
    • 3
  • Thomas Vogt
    • 4
  1. 1.Department of Chemical EngineeringUniversity of Delaware, Center for Catalytic Science and TechnologyNewark
  2. 2.Catalysis GroupSymyx Technologies Inc.Santa Clara
  3. 3.NIST Center for Neutron ResearchNational Institute of Standards and TechnologyGaithersburg
  4. 4.Physics Department, Brookhaven National LaboratoryUpton

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