中文摘要：

对生命体系中的氧自由基，Spintrapping．ESR方法是公认的特征分析手段．然而，对超氧阴离子自由基O2^-而言，其自由基加合物稳定性差．对此，人们通过改变硝酮的取代基团，设计出更为有效的O2^-捕获探针．另外，Zweier研究组还应用密度泛函理论研究了影响五元环状硝酮超氧稳定性的内在分子构型因素．我们曾合成出一系列功能性的直线型硝酮类自由基捕获探针.

英文摘要：

Six linear nitrones, three DBN derivatives and their phosphoryl analogues, were first synthesized in this article, and the structures of their O2^- -spin trapping products, the nitroxides, were theoretically and experimentally analyzed. The theoretical calculations on the optimized geometries of the spin adducts, using DFT method at B3LYP/6-311 ＋ G （ d, p ）//B3LYP/6-31 G （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.