Reactivities of Substituted Olefins

The relative reactivities of alkenes are a key component in the development of efficient cross-metathesis reactions and minimizing homodimerization. Powerful empirical models of olefin reactivity have been experimentally developed [27], but relatively few computational studies have been directedtoward understanding the relative reactivity of substituted olefins. This is in part because the number of pathways available increases dramatically for the cross-metathesis of substituted olefins, especially when secondary metathesis processes are considered. However, several computational studies have explained the origins of the low reactivities of certain alkenes, and these are discussed here. 

Computations on Different Types of Oiefin Metathesis Reactions 

Olefin metathesis has proven to be useful for the synthesis of an enormous variety of unsaturated compounds, including cyclic, acyclic, and polymeric alkenes. The studies discussed in previous sections focused on fundamental reactivity patterns that apply to all types of metathesis reactions, from cross-metathesis to polymerizations. With many of the basic mechanistic features established, many 

---