Six linear nitrones,three DBN derivatives and their phosphoryl analogues,were first synthesized in this article,and the structures of their O-·2-spin trapping products,the nitroxides,were theoretically and experi...
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Six linear nitrones,three DBN derivatives and their phosphoryl analogues,were first synthesized in this article,and the structures of their O-·2-spin trapping products,the nitroxides,were theoretically and experimentally *** theoretical calculations on the optimized geometries of the spin adducts,using DFT method at B3LYP/6-311+G(d,p)//B3LYP/6-31G(d) level,demonstrated that both the intromolecular H-bonds and their internal rotations around C—N bond are the key factors for stabilizing the spin adducts.
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