High Speed Ball Milling (HSBM) is a laboratory technique used for solvent-free synthesis. The apparatus utilizes the kinetic energy of grinding balls to induce reactivity between molecules. However, due to the unique methodology, it is difficult to determine the energy produced. Moreover, if a translation of more traditional techniques to HSBM is desired, the energetics of HSBM must be ascertained. We attempted to solve these problems through study of the Diels-Alder reaction. Because the mechanistics and theory behind this reaction have been so thoroughly elaborated, the Diels-Alder reaction makes an ideal candidate for determining the energetics of HSBM.  Density Functional Theory (B3LYP) with basis set 6-31+G was used to calculate the energy of the single transition state of the reaction, which was compared to our experimental results.

Understanding energetics using high speed ball mill (HSBM)

246th National Meeting (2013)

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