In the pursuit of characterizing and elucidating click chemistry thiol additions to hydrocarbons, we studied a set of sequential radical additions to the terminal and four different substituted alkynes. Using Gaussian09, we characterized the transition states with CBS-QB3 and used the relevant thermochemistry to determine the barrier heights and rates of reaction. The result agrees with accepted ideas of chemical intuition about stabilization of radicals as well as entropy in transition states.

Potential curves of selected radical thiol double additions to alkynes

248th National Meeting (2014)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.