Summary: Modeling Basic Zeolites K. D. Hammond and S. M. Auerbach
1
Modeling the Structure and Spectroscopy of Alkaline Zeolites
Karl D. Hammond1
and Scott M. Auerbach1,2,1
1
Department of Chemical Engineering and
2
Department of Chemistry
University of Massachusetts Amherst, Amherst, MA 01003
Running title: Modeling Basic Zeolites
ABSTRACT
We review recent efforts at modeling the structure and spectroscopy of basic zeolites and
related microporous oxides. We restrict our attention to materials with enhanced basicity
through framework substitution of oxygen atoms in Si­O­Si linkages with NH groups,
yielding "nitrided" Si­NH­Si structures. We also consider such nitridation in alumino-
silicates, alumino-phosphates and other related solids. We briefly review the synthetic
literature claiming to have made such nitrided materials, and discuss efforts at
characterizing these zeolites. We note a paucity of unambiguous evidence pointing to
nitrogen substitution into intact frameworks. We suggest that modeling vibrational and

Source: Auerbach, Scott M. - Department of Chemistry, University of Massachusetts at Amherst

Collections: Chemistry