Nature 318, 611 - 614 (19 December 1985); doi:10.1038/318611a0

Localizing active sites in zeolitic catalysts: neutron powder profile analysis and computer simulation of deuteropyridine bound to gallozeolite-L

Paul A. Wright^*, John M. Thomas^*‡, Anthony K. Cheetham^†‡ & Andreas K. Nowak^†

^*Department of Physical Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EP, UK
^†Chemical Crystallography Laboratory, University of Oxford, Parks Road, Oxford OX1 3PD, UK
^‡To whom correspondence should be addressed.

The location of a guest organic base within a model zeolitic catalyst can be quantitatively determined from an analysis of the neutron powder diffraction profile. The calculated position and orientation of the guest species within the channel agree well with the experimental values.

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