Researchers at the University of Illinois Urbana-Champaign, along with MIT and Duke University, have developed a simple tool to predict the reactivity of carbon-carbon bonds in mechanophores without extensive experimentation. This tool, called the Tension Model of Bond Activation (TMBA), utilizes a computational model based on the Morse Potential. It simplifies the prediction of mechanochemical reactions, potentially leading to the discovery of new mechanically-responsive materials and enhancing the understanding of structure-reactivity relationships in mechanochemistry.
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