Inspired by the thermally reversible hetero-Diels–Alder reaction of the 1,2-oxazine, we are exploring an oxazine derived from a nitrosocarbonyl dienophile and cyclohexadiene as a candidate for a new mechanophore. Specifically we are interested in how polymer chain scission rates are affected by the regio-chemistry and substitution pattern of the diene. Constrained geometries simulate external force (CoGEF) computational technique predicts large disparities in activation energy of different polymer architectures including linear and star polymer variants.

Investigation of mechanochemical reactivity of 1,2-oxazines

255th National Meeting (2018)

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