Catalysis: experimental and computational

Abstract

This review aims to discuss new advances in catalysis with an emphasis on the interplay of experimental and computational approaches. It will cover new work in three areas that have attracted attention in 2005. The first section looks at the reactivity of alkynes, in particular cyclisation of enynes for atom economic construction of ring systems. In the second part the use of ionic liquids in catalysis and the preparation of catalytic materials will be discussed. In the final section we consider the development and application of computational dynamics for obtaining more detailed understanding of reaction mechanisms.