Abstract:2-Pyrone (2P) and 1,4-oxazinone (OXZ) react with strained alkynes viz., cyclohexyne (SA1), benzyne (SA2) and pyridyne (SA3) through concerted cycloaddition-cycloreversion reaction. All the reactions have been scanned and the activation parameters, FOE, deformation energies and variation in aromaticity computed at B3LYP/6-31g(d) level.The obtained results have been compared with that of acetylene. In SA1,faster cycloadditionis explained by its strain, in addition,aromatic gain is accountable to enhance the rate… Show more
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