Paul Kiprof, Associate Fellow

Silene Cycloaddition Reactions

This research group studied the reaction of silicon-carbon double bonds with other molecules that have multiple bonds at high levels of theory by using ab initio molecular orbital programs such as GAMESS and GAUSSIAN. The group’s emphasis is on the reactions of silene with acetylene and ethylene. These reactions were discovered recently and pose a challenge to the understanding of cycloaddition reactions. In the case of pure carbon compounds these reactions are known to proceed photochemically, whereas the reactions involving silicon can be carried out thermally in the dark. The concerted transition state for reactions have been studied.

These researchers were also concerned with the alternative stepwise pathways of the reaction, which involve stable intermediates. These researchers are also investigating highvalent transition metal arene complexes and carbocations. High-valent transition metal arene complexes are rare and generally unstable compared with their low-valent counterparts. A detailed study of the factors governing the stability of these complexes is being performed at high levels of theory accounting for the effect of substitutents.

Further research involves carbocations, which are stabilized by oxygen atoms. This stabilization leads to unusual reactions that have not been studied systematically. This research group will explore the effect of the heteroatoms at high levels of theory and study the reactions that these species undergo.

Research Group

Sergiy Krasutsky, Undergraduate Student Researcher
Stephan Miller, Graduate Student Researcher
Kyle Riess, Undergraduate Student Researcher