Shape-selective diisopropylation of naphthalene in H-Mor: myth or reality?

by W. Buijs, C. P Bouvier, J. Gascon, F. Kapteijn, B.C Gagea, P. A. Jacobs, J. A Martens
Year: 2010 ISSN: DOI: 10.1016/j.jcat.2009.12.005

Bibliography

W. Buijs, C. P Bouvier, J. Gascon, F. Kapteijn, B.C Gagea; P. A. Jacobs, J. A Martens, J.Catal. 270 (2010), 60-66, Shape-selective diisopropylation of naphthalene in H-Mor: myth or reality?

Abstract

​Selective diisopropylation of naphthalene to 2,6-diisopropylnaphthalene is a challenging goal in sustainable catalysis. Ultrastable Y and H-Mordenite zeolites are the best catalysts reported in the literature with respect to 2,6-diisopropylnaphthalene selectivity. It is generally accepted that in the case of H-Mordenite, shape-selectivity is responsible for the observed 2,6-diisopropylnaphthalene selectivity, while on Ultrastable Y-zeolite, the observed selectivity reflects the internal thermodynamic equilibrium of positional isomers. Revisiting both the experimental and the computational work in this field now leads to the conclusion that shape-selectivity of whatever kind can be ruled out in the case of H-Mordenite. H-Mordenite catalysts produce usually a kinetically controlled mixture of diisopropylnaphthalene isomers which can shift to the direction of a thermodynamical distribution at high reaction temperatures or over more active catalysts.

Keywords

H-USY H-MOR Shape selectivity 2 6-Diisopropylnaphthalene Thermodynamical distribution Kinetic mixture Molecular modeling