Catalysis: experimental and computational

Abstract

This contribution reviews new catalysts and catalysed reactions with an emphasis on the use of computer simulation to inform experimental work. The first section deals with organocatalysis, mainly in the area of iminium and enamine catalysed enantioselective reactions. After a brief section on X–H bond activation it moves on to the simulation of enantioselective chemistry more generally. Finally, progress in the area of microporous materials as catalysts, including the emerging area of metal organic frameworks, is outlined.