“Ab initio” synthesis of zeolites for preestablished catalytic reactions

Start with the transition state Zeolites catalyze a wide range of industrial reactions, but identifying the reactions that they catalyze well tends to be done by trial and error. Gallego et al. propose a way to rationalize the process by using structure-directing agents that act as scaffolds for creating the zeolite pores and channels (see the Perspective by Millini). They picked molecules that mimic the transition states for reactions such as the isomerization of ethylbenzene into xylene, and they successfully identified catalysts with improved reactant conversion and product selectivity. Science , this issue p. 1051 ; see also p. 1028